Information card for entry 7108141

Structure parameters

• Formula: C27 H23 N O5
• Calculated formula: C27 H23 N O5
• 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: 7.0371 ± 0.001 Å
• b: 18.781 ± 0.003 Å
• c: 34.661 ± 0.006 Å
• α: 90°
• β: 90.2 ± 0.002°
• γ: 90°
• Cell volume: 4580.9 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.1182
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No