Information card for entry 7240291

Structure parameters

• Formula: C10 H8 N4
• Calculated formula: C10 H8 N4
• Title of publication: Polymorph Induced Diversity of Photomechanical Motions of Molecular Crystals
• Authors of publication: Gao, Lei; Hao, Yunhui; Zhang, Xiunan; Huang, Xin; Wang, Ting; Hao, Hongxun
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 4.7844 ± 0.001 Å
• b: 6.1705 ± 0.0012 Å
• c: 15.43 ± 0.003 Å
• α: 90°
• β: 96.42 ± 0.03°
• γ: 90°
• Cell volume: 452.67 ± 0.16 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No