Information card for entry 7204460

Structure parameters

• Formula: C14 H13 N O
• Calculated formula: C14 H13 N O
• SMILES: COc1ccc(cc1)/C=C/c1ccccn1
• Title of publication: Mesomorphic silver(i) complexes of 4-alkyloxy-2???-stilbazoles and 4-alkyloxy-3???-stilbazoles. Crystal and molecular structure of 4-methoxy-2???-stilbazoleElectronic supplementary information (ESI) available: bond lengths and angles for 4-methoxy-2???-stilbazole. See http://www.rsc.org/suppdata/jm/b2/b204820e/
• Authors of publication: Huck, Deborah M.; Loc Nguyen, H.; Coles, Simon J.; Hursthouse, Michael B.; Donnio, Bertrand; Bruce, Duncan W.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2879
• 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