Information card for entry 8000438

Structure parameters

• Formula: C17 H16 F N O2
• Calculated formula: C17 H16 F N O2
• 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: 10.913 ± 0.0007 Å
• b: 11.7943 ± 0.0007 Å
• c: 11.5984 ± 0.0006 Å
• α: 90°
• β: 111.525 ± 0.002°
• γ: 90°
• Cell volume: 1388.73 ± 0.14 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104.04 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: 0.1079
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2365
• Weighted residual factors for all reflections included in the refinement: 0.2662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No