Information card for entry 7208044

Structure parameters

• Formula: C18.5 H17 N2 O
• Calculated formula: C18.5 H16.5 N2 O
• Title of publication: Co-crystal structure selection of nonlinear optical analogue polyenes
• Authors of publication: Choi, Eun-Young; Jazbinsek, Mojca; Lee, Seung-Heon; Günter, Peter; Yun, Hoseop; Lee, Soon W.; Kwon, O-Pil
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4306
• a: 11.05 ± 0.003 Å
• b: 14.2 ± 0.003 Å
• c: 10.068 ± 0.002 Å
• α: 90°
• β: 95.397 ± 0.016°
• γ: 90°
• Cell volume: 1572.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1835
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No