Information card for entry 7246917

Structure parameters

• Formula: C26 H12 N4 O
• Calculated formula: C26 H12 N4 O
• SMILES: o1c2ccccc2c2c1ccc1c2cccc1.N#Cc1c(C#N)cc(C#N)c(C#N)c1
• Title of publication: Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression
• Authors of publication: Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 27
• Pages of publication: 3861 - 3865
• a: 7.9325 ± 0.0003 Å
• b: 7.8534 ± 0.0004 Å
• c: 15.8599 ± 0.0008 Å
• α: 90°
• β: 99.753 ± 0.002°
• γ: 90°
• Cell volume: 973.75 ± 0.08 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No