Information card for entry 4504871

Structure parameters

• Formula: C35 H37 N3 O2
• Calculated formula: C35 H37 N3 O2
• SMILES: CCCCOc1ccc(cc1)/N=C/c1ccc2c(c1)c1c(ccc(c1)/C=N/c1ccc(cc1)OCCCC)n2C
• Title of publication: Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole
• Authors of publication: Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1443
• a: 6.5057 ± 0.001 Å
• b: 8.2178 ± 0.0011 Å
• c: 55.034 ± 0.009 Å
• α: 90°
• β: 91.781 ± 0.002°
• γ: 90°
• Cell volume: 2940.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No