Information card for entry 7108140

Structure parameters

• Formula: C41 H50 Cl O5 P
• Calculated formula: C41 H50 Cl O5 P
• 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: 8.6928 ± 0.0009 Å
• b: 27.828 ± 0.003 Å
• c: 15.9755 ± 0.0017 Å
• α: 90°
• β: 93.278 ± 0.002°
• γ: 90°
• Cell volume: 3858.2 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No