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Information card for entry 4026297
Preview
Coordinates | 4026297.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H42 N2 O4 |
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Calculated formula | C36 H42 N2 O4 |
SMILES | Oc1c(/C=N/[C@H](C(C)C)CO)cc(c2c3c(c4c(cc(O)c(/C=N/[C@@H](CO)C(C)C)c4)C)cccc3ccc2)c(c1)C.Oc1c(/C=N/[C@@H](CO)C(C)C)cc(c(c1)C)c1c2c(c3cc(c(O)cc3C)/C=N/[C@@H](CO)C(C)C)cccc2ccc1 |
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 | 10.847 ± 0.004 Å |
b | 21.365 ± 0.009 Å |
c | 13.644 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3162 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0792 |
Residual factor for significantly intense reflections | 0.0756 |
Weighted residual factors for significantly intense reflections | 0.1649 |
Weighted residual factors for all reflections included in the refinement | 0.1665 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
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/4026297.html
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