Information card for entry 1570944

Structure parameters

• Formula: C48 H36 Cl2 O2
• Calculated formula: C48 H36 Cl2 O2
• Title of publication: Coumarin-embedded [5]helicene derivatives: synthesis, X-ray analysis and photoconducting properties.
• Authors of publication: Yang, Hui; Chen, Guofeng; Zhang, Ran; Zhu, Yanjie; Xiao, Jinchong
• Journal of publication: Nanoscale
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 5395 - 5400
• a: 15.099 ± 0.0018 Å
• b: 15.0514 ± 0.0017 Å
• c: 15.4881 ± 0.0016 Å
• α: 90°
• β: 96.33 ± 0.002°
• γ: 90°
• Cell volume: 3498.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1848
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No