Information card for entry 1513534

Structure parameters

• Formula: C27 H22 N O P
• Calculated formula: C27 H22 N O P
• SMILES: P(=O)(c1nc2c(c3c1cc(cc3)C)cc(cc2)C)(c1ccccc1)c1ccccc1
• Title of publication: 6-Phosphorylated phenanthridines from 2-isocyanobiphenyls via radical C-P and C-C bond formation.
• Authors of publication: Zhang, Bo; Daniliuc, Constantin Gabriel; Studer, Armido
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 250 - 253
• a: 9.1458 ± 0.0002 Å
• b: 12.1107 ± 0.0002 Å
• c: 19.6005 ± 0.0003 Å
• α: 100.663 ± 0.001°
• β: 99.955 ± 0.001°
• γ: 92.248 ± 0.001°
• Cell volume: 2095.69 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No