Information card for entry 7126512

Structure parameters

• Formula: C16 H11 N2 P
• Calculated formula: C16 H11 N2 P
• SMILES: P1(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: 13.597 ± 0.004 Å
• b: 11.204 ± 0.003 Å
• c: 8.645 ± 0.002 Å
• α: 90°
• β: 103.655 ± 0.014°
• γ: 90°
• Cell volume: 1279.8 ± 0.6 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• 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: 0.1272
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No