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Information card for entry 7151711
Preview
| Coordinates | 7151711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H26 Cl N3 O2 |
|---|---|
| Calculated formula | C27 H26 Cl N3 O2 |
| Title of publication | Unexpected synthesis of indolo[1,2-c]quinazolines by a sequential Ugi 4CC-Staudinger-aza-Wittig-nucleophilic addition reaction. |
| Authors of publication | He, Ping; Nie, Yi-Bo; Wu, Jing; Ding, Ming-Wu |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 5 |
| Pages of publication | 1429 - 1436 |
| a | 9.7651 ± 0.0006 Å |
| b | 11.2401 ± 0.0008 Å |
| c | 11.3429 ± 0.0009 Å |
| α | 76.03 ± 0.001° |
| β | 81.135 ± 0.001° |
| γ | 73.662 ± 0.001° |
| Cell volume | 1154.42 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1267 |
| Weighted residual factors for all reflections included in the refinement | 0.1319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7151711.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7151711.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151711.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151711.cif |
| 15000 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151711 via cif-deposit CGI script. |
7151711.cif |
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Users of the data should acknowledge the original authors of the
structural data.