Information card for entry 8000548

Structure parameters

• Formula: C20 H10 F3 I3 N
• Calculated formula: C20 H10 F3 I3 N
• Title of publication: Optical Waveguide and Photoluminescent Polarization in Organic Cocrystal Polymorphs.
• Authors of publication: Du, Sijia; Ma, Suqian; Xu, Bin; Tian, Wenjing
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 38
• Pages of publication: 9233 - 9238
• a: 5.0705 ± 0.0007 Å
• b: 37.539 ± 0.005 Å
• c: 10.7938 ± 0.0016 Å
• α: 90°
• β: 92.192 ± 0.005°
• γ: 90°
• Cell volume: 2053 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 5
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No