Information card for entry 2012730

Structure parameters

• Formula: C32 H39 N O7 Si
• Calculated formula: C32 H39 N O7 Si
• SMILES: [nH]1c(c(c2ccc(cc12)OC)C(=O)c1cc(c(c(c1)OC)OC)OC)c1ccc(c(c1)O[Si](C)(C)C(C)(C)C)OC
• Title of publication: 2-(3-<i>tert</i>-Butyldimethylsiloxy-4-methoxyphenyl)-6-methoxy-3-(3,4,5-trimethoxybenzoyl)indole
• Authors of publication: Hadimani, Mallinath B.; Kessler, Raymond J.; Kautz, Jason A.; Ghatak, Anjan; Shirali, Anupama R.; O'Dell, Heather; Garner, Charles M.; Pinney, Kevin G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o330 - o332
• a: 14.596 ± 0.001 Å
• b: 14.753 ± 0.001 Å
• c: 28.531 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6143.7 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0877
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes