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Information card for entry 1508282
Preview
| Coordinates | 1508282.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H27 N O3 S |
|---|---|
| Calculated formula | C31 H27 N O3 S |
| SMILES | S(=O)(=O)(n1c2ccc(c3c2c(C(C3)c2ccc(OC)cc2)c1c1ccccc1)C)c1ccc(cc1)C |
| Title of publication | Divergent construction of nitrogen-containing polycyclic compounds with a dearomatization strategy. |
| Authors of publication | Wang, Linfei; Fan, Renhua |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 14 |
| Pages of publication | 3596 - 3599 |
| a | 13.792 ± 0.006 Å |
| b | 11.557 ± 0.005 Å |
| c | 16.464 ± 0.007 Å |
| α | 90° |
| β | 105.732 ± 0.005° |
| γ | 90° |
| Cell volume | 2526 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0795 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.137 |
| Weighted residual factors for all reflections included in the refinement | 0.1548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1508282.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508282.cif |
| 113536 | 2014-05-13 | cif/ Updating files of 1508282, 1508283 Original log message: Adding full bibliography for 1508282--1508283.cif. |
1508282.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508282.cif |
| 66270 | 2012-09-09 | cif/ Adding structures of 1508282 via cif-deposit CGI script. |
1508282.cif |
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Users of the data should acknowledge the original authors of the
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