Information card for entry 8000494

Structure parameters

• Formula: C62 H32 F16 I2 N4
• Calculated formula: C62 H32 F16 I2 N4
• 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: 4.8893 ± 0.001 Å
• b: 15.372 ± 0.003 Å
• c: 19.518 ± 0.004 Å
• α: 67.58 ± 0.03°
• β: 89.54 ± 0.03°
• γ: 87.55 ± 0.03°
• Cell volume: 1354.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No