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Information card for entry 7246201
Preview
Coordinates | 7246201.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H27 F6 N3 O S |
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Calculated formula | C28 H27 F6 N3 O S |
SMILES | S=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N[C@H](C(O)(c1ccccc1)c1ccccc1)CN1CCCC1 |
Title of publication | Thiourea fused γ-amino alcohol organocatalysts for asymmetric Mannich reaction of β-keto active methylene compounds with imines |
Authors of publication | Nomura, Miku; Begum, Zubeda; Seki, Chigusa; Okuyama, Yuko; Kwon, Eunsang; Uwai, Koji; Tokiwa, Michio; Tokiwa, Suguru; Takeshita, Mitsuhiro; Nakano, Hiroto |
Journal of publication | RSC Advances |
Year of publication | 2023 |
Journal volume | 13 |
Journal issue | 6 |
Pages of publication | 3715 - 3722 |
a | 9.2836 ± 0.0007 Å |
b | 10.9381 ± 0.0007 Å |
c | 13.6479 ± 0.001 Å |
α | 98.031 ± 0.006° |
β | 98.938 ± 0.006° |
γ | 90.963 ± 0.006° |
Cell volume | 1354.57 ± 0.17 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1264 |
Residual factor for significantly intense reflections | 0.0826 |
Weighted residual factors for significantly intense reflections | 0.1954 |
Weighted residual factors for all reflections included in the refinement | 0.2257 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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280630 (current) | 2023-01-27 | cif/ Adding structures of 7246201 via cif-deposit CGI script. |
7246201.cif |
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Users of the data should acknowledge the original authors of the
structural data.