Information card for entry 1519345

Structure parameters

• Formula: C14 H13 N O
• Calculated formula: C14 H13 N O
• SMILES: COc1ccc(cc1)/C=C/c1ccccn1
• Title of publication: 4-Methoxy-2aE-stilbazole
• Authors of publication: Donnio, B; Nguuyen, H. L.; Huck, D. M.; Hursthouse, Michael B.; Coles, Simon J.; Bruce, D. W.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 134
• a: 9.2463 ± 0.0018 Å
• b: 33.461 ± 0.007 Å
• c: 7.2285 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2236.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No