Information card for entry 1540605

Structure parameters

• Chemical name: 10,11,12-Triphenyl-10H-phenanthro[9,10-f]phosphindole 10-oxide
• Formula: C38 H25 O P
• Calculated formula: C38 H25 O P
• SMILES: c12ccccc1c1ccccc1c1c2cc2c(c1)C(=C(c1ccccc1)[P]2(=O)c1ccccc1)c1ccccc1
• Title of publication: One-Pot Benzo[b]phosphole Synthesis through Sequential Alkyne Arylmagnesiation, Electrophilic Trapping, and Intramolecular Phospha-Friedel-Crafts Cyclization.
• Authors of publication: Wu, Bin; Chopra, Rena; Yoshikai, Naohiko
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5666 - 5669
• a: 10.332 ± 0.002 Å
• b: 10.435 ± 0.002 Å
• c: 13.632 ± 0.003 Å
• α: 67.996 ± 0.005°
• β: 82.773 ± 0.006°
• γ: 76.624 ± 0.006°
• Cell volume: 1324.5 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1224
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No