Information card for entry 2208254

Structure parameters

• Chemical name: (E)-4,4'-Diazastilbene‒4,4'-oxydibenzoic acid (1/1)
• Formula: C26 H20 N2 O5
• Calculated formula: C26 H20 N2 O5
• SMILES: n1ccc(cc1)/C=C/c1ccncc1.OC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)O
• Title of publication: (<i>E</i>)-4,4'-Diazastilbene‒4,4'-oxydibenzoic acid (1/1)
• Authors of publication: Ma, Zhi-Cheng; Ma, Ai-Qing; Wang, Guo-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1165 - o1166
• a: 13.308 ± 0.005 Å
• b: 6.08 ± 0.002 Å
• c: 26.143 ± 0.01 Å
• α: 90°
• β: 92.603 ± 0.007°
• γ: 90°
• Cell volume: 2113.1 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No