Information card for entry 2013186

Structure parameters

• Common name: stilbene
• Chemical name: 4'-methoxy-α,2,3'4-tetranitrostilbene
• Formula: C15 H10 N4 O9
• Calculated formula: C15 H10 N4 O9
• SMILES: O=N(=O)c1cc(ccc1OC)/C=C(N(=O)=O)\c1ccc(N(=O)=O)cc1N(=O)=O
• Title of publication: A <i>cis</i>-stilbene derivative
• Authors of publication: SethuSankar, K.; Saravanan, S.; Velmurugan, D.; Parvez, Masood
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o156 - o158
• a: 7.096 ± 0.004 Å
• b: 8.55 ± 0.003 Å
• c: 28.101 ± 0.005 Å
• α: 90°
• β: 90.87 ± 0.03°
• γ: 90°
• Cell volume: 1704.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes