Information card for entry 1545430

Structure parameters

• Formula: C35 H26 N O2 P
• Calculated formula: C35 H26 N O2 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)[C@H]1C(=O)n2c3ccccc3c(c3ccccc3)c2[C@@H]1c1ccccc1.P(=O)(c1ccccc1)(c1ccccc1)[C@@H]1C(=O)n2c3ccccc3c(c3ccccc3)c2[C@H]1c1ccccc1
• Title of publication: Silver-Catalyzed Radical-Involved Cascade Cyclization of Diphenylphosphine with Cinnamamides: Access to 2-Phosphinoyl-3H-pyrrolo[1,2-a]indoles.
• Authors of publication: Xu, Jian; Yu, Xiaoxia; Song, Qiuling
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 980 - 983
• a: 10.697 ± 0.003 Å
• b: 14.116 ± 0.007 Å
• c: 18.102 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2733 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1866
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No