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Information card for entry 7111631
Preview
| Coordinates | 7111631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H38 N2 O |
|---|---|
| Calculated formula | C48 H38 N2 O |
| SMILES | c12cccc3c2c2c(cccc2C2(C43c3ccccc3N(c3ccccc43)C)c3ccccc3N(c3ccccc23)C)COC1.c1ccccc1 |
| Title of publication | Drastic change in racemization barrier upon redox reactions: novel chiral-memory units based on dynamic redox systems |
| Authors of publication | Suzuki, Takanori; Wada, Kazuhisa; Ishigaki, Yusuke; Yoshimoto, Yasuyo; Ohta, Eisuke; Kawai, Hidetoshi; Fujiwara, Kenshu |
| Journal of publication | Chemical Communications |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 23 |
| Pages of publication | 4100 - 4102 |
| a | 23.56 ± 0.004 Å |
| b | 11.9 ± 0.002 Å |
| c | 13.927 ± 0.002 Å |
| α | 90 ± 0.0004° |
| β | 120.231 ± 0.0005° |
| γ | 90 ± 0.0004° |
| Cell volume | 3373.6 ± 0.9 Å3 |
| Cell temperature | 150.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for all reflections included in the refinement | 0.1401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.8 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7111631.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7111631.cif |
| 96711 | 2014-01-29 | cif/ Adding structures of 7111629, 7111630, 7111631 via cif-deposit CGI script. |
7111631.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.