Information card for entry 7048332

Structure parameters

• Chemical name: (4-(1'H-[1,3'-bipyrazol]-1'-yl) phenyl) (4-(10H-phenoxazin-10-yl)phenyl)methanone
• Formula: C31 H21 N5 O2
• Calculated formula: C31 H21 N5 O2
• Title of publication: A rationally designed vapoluminescent compound with adsorptive channels and responsive luminophores for volatile organic compounds (VOCs).
• Authors of publication: Yang, Mingxue; Li, Xiao-Ning; Jia, Ji-Hui; Chen, Xu-Lin; Lu, Can-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 1179 - 1183
• a: 17.7416 ± 0.0004 Å
• b: 5.5858 ± 0.0001 Å
• c: 24.5679 ± 0.0008 Å
• α: 90°
• β: 102.175 ± 0.003°
• γ: 90°
• Cell volume: 2379.94 ± 0.11 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0452
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No