Information card for entry 7236765

Structure parameters

• Formula: C28 H28 N4 O
• Calculated formula: C28 H28 N4 O
• Title of publication: Tuning the strength of intramolecular charge-transfer of triene-based nonlinear optical dyes for electro-optics and optofluidic lasers
• Authors of publication: Wu, Jieyun; Wang, Wen; Gong, Chaoyang; Li, Qing; Li, Zhonghui; Deng, Guowei; Zhang, Xiaoling; Chen, Kaixin; Gong, Yuan; Chiang, Kin seng
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 30
• Pages of publication: 7472
• a: 6.2564 ± 0.0005 Å
• b: 11.3834 ± 0.001 Å
• c: 17.9585 ± 0.0015 Å
• α: 97.453 ± 0.002°
• β: 94.502 ± 0.002°
• γ: 96.73 ± 0.002°
• Cell volume: 1253.73 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No