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Information card for entry 4077304
Preview
| Coordinates | 4077304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H19 Si |
|---|---|
| Calculated formula | C12 H19 Si |
| Title of publication | An Effective and Selective Route to 1,5-Dihydropolyalkylateds-Indacenes: Characterization of Their Mono- and Dianions by Silylation. Structure oftrans-1,5-Bis(trimethylsilyl)-2,6-diethyl-4,8-dimethyl-s-indacene |
| Authors of publication | Dahrouch, Mohamed R.; Jara, Paul; Mendez, Loreto; Portilla, Yoany; Abril, Diana; Alfonso, Geraldo; Chavez, Ivonne; Manriquez, Juan M.; Rivière-Baudet, Monique; Rivière, Pierre; Castel, Annie; Rouzaud, Jacques; Gornitzka, Heinz |
| Journal of publication | Organometallics |
| Year of publication | 2001 |
| Journal volume | 20 |
| Journal issue | 26 |
| Pages of publication | 5591 |
| a | 7.103 ± 0.0003 Å |
| b | 8.969 ± 0.0004 Å |
| c | 9.5849 ± 0.0005 Å |
| α | 80.147 ± 0.001° |
| β | 75.48 ± 0.001° |
| γ | 77.442 ± 0.001° |
| Cell volume | 572.57 ± 0.05 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.1318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4077304.cif |
| 178662 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/73. |
4077304.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077304.cif |
| 54283 | 2012-04-24 | cif/ Adding structures of 4077304 via cif-deposit CGI script. |
4077304.cif |
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Users of the data should acknowledge the original authors of the
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