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Information card for entry 7158192
Preview
Coordinates | 7158192.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H14 Cl N O4 |
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Calculated formula | C17 H14 Cl N O4 |
SMILES | Clc1ccc2C[C@H]3NC(=O)C(=C\O[C@H]4OC(=O)C(=C4)C)\[C@H]3c2c1.Clc1ccc2C[C@@H]3NC(=O)/C(=C/O[C@@H]4OC(=O)C(=C4)C)[C@@H]3c2c1 |
Title of publication | Access to benzene-modified 2<sup>nd</sup> generation strigolactams and GR24 by merging C-H olefination with decarboxylative Giese cyclization. |
Authors of publication | Ge, Yuhua; Chen, Xingyue; Dong, Yi; Wang, Hua-Nan; Li, Yangyan; Chen, Gang |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 33 |
Pages of publication | 7141 - 7146 |
a | 11.168 ± 0.002 Å |
b | 15.73 ± 0.002 Å |
c | 18.35 ± 0.003 Å |
α | 90° |
β | 105.575 ± 0.013° |
γ | 90° |
Cell volume | 3105.2 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0595 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.12 |
Weighted residual factors for all reflections included in the refinement | 0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
268936 (current) | 2021-09-06 | cif/ Updating files of 7158192, 7158193 Original log message: Adding full bibliography for 7158192--7158193.cif. |
7158192.cif |
267810 | 2021-07-29 | cif/ Adding structures of 7158192, 7158193 via cif-deposit CGI script. |
7158192.cif |
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Users of the data should acknowledge the original authors of the
structural data.