Information card for entry 7237781

Structure parameters

• Formula: C19 H12 Cl N O
• Calculated formula: C19 H12 Cl N O
• Title of publication: The photomechanic effects of the molecular crystals based on 5-chloro-2-(naphthalenylvinyl)benzoxazols fueled by topo-photochemical reactions
• Authors of publication: Peng, Jiang; Ye, Kaiqi; Liu, Cheng; Sun, Jingbo; Lu, Ran
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 18
• Pages of publication: 5433
• a: 23.323 ± 0.002 Å
• b: 3.8319 ± 0.0003 Å
• c: 31.479 ± 0.003 Å
• α: 90°
• β: 90.288 ± 0.004°
• γ: 90°
• Cell volume: 2813.3 ± 0.4 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149.25 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No