Information card for entry 8000437

Structure parameters

• Formula: C2.34 H2.21 F0.14 N0.14 O0.28
• Calculated formula: C2.34483 H2.2069 F0.137931 N0.137931 O0.275862
• Title of publication: Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.
• Authors of publication: Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2020
• Pages of publication: 5433 - 5438
• a: 15.4183 ± 0.0016 Å
• b: 12.1852 ± 0.0012 Å
• c: 7.8546 ± 0.0008 Å
• α: 90°
• β: 104.549 ± 0.004°
• γ: 90°
• Cell volume: 1428.4 ± 0.3 ų
• Cell temperature: 216 K
• Ambient diffraction temperature: 216 K
• Number of distinct elements: 5
• 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: 0.1168
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No