Information card for entry 8000495

Structure parameters

• Formula: C28 H16 F6 N2
• Calculated formula: C28 H16 F6 N2
• SMILES: c1cc(ccn1)c1ccc(cc1)/C=C(C#N)/c1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Tuning Organic Microcrystal Morphologies through Crystal Engineering Strategies toward Anisotropic Optical Waveguide.
• Authors of publication: Ding, Zeyang; Shang, Hongxing; Geng, Yijia; Zhang, Shi-Tong; Huo, Zepeng; Yang, Zairan; Li, Bao; Xu, Weiqing; Jiang, Shimei
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 19
• Pages of publication: 4585 - 4592
• a: 14.799 ± 0.003 Å
• b: 9.962 ± 0.002 Å
• c: 15.092 ± 0.003 Å
• α: 90°
• β: 90.54 ± 0.03°
• γ: 90°
• Cell volume: 2224.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No