Information card for entry 7108146

Structure parameters

• Formula: C31 H31 N O4
• Calculated formula: C31 H31 N O4
• SMILES: C(=O)(n1c2ccccc2c(c1C(C)C)/C=C(c1ccccc1)\OC(=O)c1ccccc1)OC(C)(C)C
• Title of publication: Preparation of functional benzofurans and indoles via chemoselective intramolecular Wittig reactions
• Authors of publication: Yu-Ting Lee; Yeong-Jiunn Jang; Siang-en Syu; Shu-Chi Chou; Chia-Jui Lee; Wenwei Lin
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8135
• a: 9.7424 ± 0.0004 Å
• b: 10.2579 ± 0.0005 Å
• c: 14.6034 ± 0.0006 Å
• α: 109.778 ± 0.002°
• β: 98.868 ± 0.002°
• γ: 98.878 ± 0.002°
• Cell volume: 1323.02 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No