Information card for entry 8105382

Structure parameters

• Formula: C25 H19 N5 O4
• Calculated formula: C25 H19 N5 O4
• SMILES: c1(ccc(c2c1non2)Oc1ccc(cc1)/C=C/C1=CC(=C(C#N)C#N)CC(C1)(C)C)N(=O)=O
• Title of publication: Crystal structure of (E)-2-(5,5-dimethyl-3-(4-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)oxy)styryl)cyclohex-2-en-1-ylidene)malononitrile, C25H19N5O4
• Authors of publication: Huang, Haiqing; Xu, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1073 - 1075
• a: 7.5952 ± 0.0011 Å
• b: 9.4729 ± 0.0013 Å
• c: 16.26 ± 0.002 Å
• α: 76.559 ± 0.002°
• β: 87.394 ± 0.002°
• γ: 73.886 ± 0.002°
• Cell volume: 1092.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No