Information card for entry 8104697

Structure parameters

• Formula: C16 H11 B F2 N2
• Calculated formula: C16 H11 B F2 N2
• Title of publication: The crystal structure of 2-(3,5-difluorophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H11BF2N2
• Authors of publication: Ding, Siyi; Miao, Zong-Cheng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 737 - 739
• a: 9.0978 ± 0.0014 Å
• b: 18.58 ± 0.003 Å
• c: 15.476 ± 0.002 Å
• α: 90°
• β: 99.516 ± 0.005°
• γ: 90°
• Cell volume: 2580 ± 0.7 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.051
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No