Information card for entry 4325708

Structure parameters

• Common name: sd117
• Formula: C17 H12 N O P
• Calculated formula: C17 H12 N O P
• SMILES: P1(=O)(c2ccccc2)c2c(c3ncccc13)cccc2
• Title of publication: Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character
• Authors of publication: Stefan Durben; Thomas Baumgartner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6823 - 6836
• a: 11.3208 ± 0.0003 Å
• b: 8.4178 ± 0.0004 Å
• c: 16.3424 ± 0.0009 Å
• α: 90°
• β: 119.65 ± 0.008°
• γ: 90°
• Cell volume: 1353.45 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No