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Information card for entry 7105149
Preview
| Coordinates | 7105149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H17 N O |
|---|---|
| Calculated formula | C18 H17 N O |
| SMILES | O=C1N2C(c3c(c4c1cccc4)cc(cc3)C)CCC2 |
| Title of publication | A facile synthesis of dibenzopyrroloazepinones as tetracyclic allocolchicinoids–an unusual 1,2-phenyl shift. |
| Authors of publication | Wu, Liang; Aliev, Abil E; Caddick, Stephen; Fitzmaurice, Richard J; Tocher, Derek A; King, Frank D |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2009 |
| Journal volume | 46 |
| Journal issue | 2 |
| Pages of publication | 318 - 320 |
| a | 18.68 ± 0.002 Å |
| b | 7.2722 ± 0.0008 Å |
| c | 19.09 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2593.3 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0778 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1224 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7105149.cif |
| 180155 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/51. |
7105149.cif |
| 106664 | 2014-03-15 | cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly. |
7105149.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7105149.cif |
| 969 | 2010-02-01 | cod/cif/ Depositing CIFs from Chem-Comm-2010_1-5 processing directory. |
7105149.cif |
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