Information card for entry 7244258

Structure parameters

• Chemical name: cocrystal
• Formula: C12 H5 F2 N
• Calculated formula: C12 H5 F2 N
• Title of publication: A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile
• Authors of publication: Yu, Xu; Tang, Baolei; Zhang, Hongyu
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 942 - 946
• a: 7.1268 ± 0.0011 Å
• b: 8.6732 ± 0.0014 Å
• c: 15.297 ± 0.002 Å
• α: 90°
• β: 102.303 ± 0.006°
• γ: 90°
• Cell volume: 923.8 ± 0.2 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 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: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No