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Information card for entry 4026296
Preview
Coordinates | 4026296.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H34 N2 O4 |
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Calculated formula | C32 H34 N2 O4 |
SMILES | Oc1cc(c(c2c3c(ccc2)cccc3c2cc(c(O)cc2C)/C=N/[C@@H](CO)C)cc1/C=N/[C@H](C)CO)C.Oc1cc(c(c2c3c(ccc2)cccc3c2cc(c(O)cc2C)/C=N/[C@H](CO)C)cc1/C=N/[C@@H](C)CO)C |
Title of publication | Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes |
Authors of publication | Marwan W. Ghosn; Christian Wolf |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 3888 - 3897 |
a | 22.34 ± 0.002 Å |
b | 6.8469 ± 0.0006 Å |
c | 17.6753 ± 0.0016 Å |
α | 90° |
β | 100.956 ± 0.001° |
γ | 90° |
Cell volume | 2654.3 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1284 |
Residual factor for significantly intense reflections | 0.0987 |
Weighted residual factors for significantly intense reflections | 0.2619 |
Weighted residual factors for all reflections included in the refinement | 0.2788 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4026296.html
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