Information card for entry 4029422

Structure parameters

• Formula: C22 H20 N O P
• Calculated formula: C22 H20 N O P
• SMILES: P(=O)(c1ccccc1)(c1c2c([nH]c1CC)cccc2)c1ccccc1
• Title of publication: Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins.
• Authors of publication: Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2014
• Journal volume: 10
• Pages of publication: 996 - 1005
• a: 11.2497 ± 0.0006 Å
• b: 21.1287 ± 0.0009 Å
• c: 15.288 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3633.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No