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Information card for entry 1519270
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Coordinates | 1519270.cif |
---|
Formula | C25 H31 N O6 Si |
---|---|
Calculated formula | C25 H31 N O6 Si |
SMILES | [Si](O)(C)(C)[C@@]1(c2ccccc2)C(=C)C[C@@](OCCOC(=O)c2ccc(N(=O)=O)cc2)(CC1)C.[Si](O)(C)(C)[C@]1(c2ccccc2)C(=C)C[C@](OCCOC(=O)c2ccc(N(=O)=O)cc2)(CC1)C |
Title of publication | 4-Nitrobenzoic acid 2-[4-(hydroxy-dimethyl-silanyl)-1-methyl-3-methylene-4- phenyl-cyclohexyloxy]-ethyl ester |
Authors of publication | Gelbrich, Thomas; Peron, G.; Hursthouse, Michael B.; Kilburn, Jeremy D. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2000 |
Pages of publication | 534 |
a | 7.9022 ± 0.0003 Å |
b | 10.6116 ± 0.0004 Å |
c | 15.3911 ± 0.0008 Å |
α | 104.376 ± 0.0017° |
β | 91.507 ± 0.0015° |
γ | 90.616 ± 0.002° |
Cell volume | 1249.58 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.2022 |
Residual factor for significantly intense reflections | 0.0727 |
Weighted residual factors for significantly intense reflections | 0.1133 |
Weighted residual factors for all reflections included in the refinement | 0.1274 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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