Information card for entry 7126514

Structure parameters

• Formula: C16 H11 N2 O P
• Calculated formula: C16 H11 N2 O P
• SMILES: P1(=O)(c2c(c3c1cncc3)ccnc2)c1ccccc1
• Title of publication: Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.
• Authors of publication: Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 45
• Pages of publication: 6035 - 6038
• a: 7.692 ± 0.004 Å
• b: 9.588 ± 0.006 Å
• c: 10.081 ± 0.007 Å
• α: 88.33 ± 0.02°
• β: 72.47 ± 0.02°
• γ: 67.903 ± 0.014°
• Cell volume: 653.9 ± 0.7 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 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: 0.0523
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No