Information card for entry 7237782

Structure parameters

• Formula: C38 H24 Cl2 N2 O2
• Calculated formula: C38 H24 Cl2 N2 O2
• 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: 9.8015 ± 0.0004 Å
• b: 12.0723 ± 0.0006 Å
• c: 12.9926 ± 0.0006 Å
• α: 71.138 ± 0.002°
• β: 85.828 ± 0.002°
• γ: 79.452 ± 0.002°
• Cell volume: 1430.08 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No