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Information card for entry 4514358
Preview
Coordinates | 4514358.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H27.67 Br N2 O1.33 |
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Calculated formula | C30 H27 Br N2 O1.33333 |
Title of publication | Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions |
Authors of publication | Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D. |
Journal of publication | ACS Catalysis |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 2 |
Pages of publication | 1153 |
a | 14.476 ± 0.003 Å |
b | 17.657 ± 0.004 Å |
c | 18.147 ± 0.004 Å |
α | 81.051 ± 0.014° |
β | 77.873 ± 0.012° |
γ | 82.012 ± 0.013° |
Cell volume | 4452.5 ± 1.7 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2852 |
Residual factor for significantly intense reflections | 0.1239 |
Weighted residual factors for significantly intense reflections | 0.2958 |
Weighted residual factors for all reflections included in the refinement | 0.4058 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
206125 (current) | 2018-02-04 | cif/ Updating files of 4514357, 4514358 Original log message: Adding full bibliography for 4514357--4514358.cif. |
4514358.cif |
205130 | 2018-01-13 | cif/ Adding structures of 4514358 via cif-deposit CGI script. |
4514358.cif |
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