Information card for entry 1519270

Structure parameters

• 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 ų
• 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