Information card for entry 2010523

Structure parameters

• Formula: C23 H19 N3 O5
• Calculated formula: C23 H19 N3 O5
• SMILES: O=N(=O)c1ccc(N=Nc2cc(cc(OC)c2OC(=O)c2ccccc2)CC=C)cc1
• Title of publication: 5'-Allyl-2'-benzoyloxy-3'-methoxy-4-nitroazobenzene
• Authors of publication: Işık, Şamil; Öztürk, Sema; Fun, Hoong-Kun; Ag̃ar, Erbil; Şaşmaz, Selami
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 95 - 96
• a: 7.7564 ± 0.0001 Å
• b: 22.3441 ± 0.0005 Å
• c: 12.5552 ± 0.0002 Å
• α: 90°
• β: 97.766 ± 0.001°
• γ: 90°
• Cell volume: 2155.98 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1922
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes