Information card for entry 7201078

Structure parameters

• Common name: 2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile
• Chemical name: 2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile
• Formula: C17 H14 N2 O
• Calculated formula: C17 H14 N2 O
• Title of publication: Crystal engineering by eliminating weak hydrogen bonding sites in phenolic polyene nonlinear optical crystals
• Authors of publication: Kwon, O-Pil; Jazbinsek, Mojca; Yun, Hoseop; Seo, Jung-In; Seo, Ji-Youn; Kwon, Seong-Ji; Lee, Yoon Sup; Günter, Peter
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1541
• a: 10.9927 ± 0.0008 Å
• b: 12.5852 ± 0.0009 Å
• c: 10.1326 ± 0.0006 Å
• α: 90°
• β: 94.364 ± 0.002°
• γ: 90°
• Cell volume: 1397.73 ± 0.16 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No