Information card for entry 7124500

Structure parameters

• Formula: C13 H10 N2 O2
• Calculated formula: C13 H10 N2 O2
• Title of publication: Straight, bendable and bent organic crystals
• Authors of publication: Yadava, Khushboo; Qin, Xian; Liu, Xiaogang; Vittal, Jagadese
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 5.6324 ± 0.0004 Å
• b: 30.062 ± 0.002 Å
• c: 6.7574 ± 0.0006 Å
• α: 90°
• β: 111.203 ± 0.003°
• γ: 90°
• Cell volume: 1066.72 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No