Information card for entry 1572860

Structure parameters

• Formula: C16 H16 Cl N3 O
• Calculated formula: C16 H16 Cl N3 O
• Title of publication: Dynamic organic crystal as exceptionally efficient artificial natural light-harvesting actuator
• Authors of publication: Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 14.9184 ± 0.0005 Å
• b: 12.9302 ± 0.0004 Å
• c: 7.6631 ± 0.0003 Å
• α: 90°
• β: 96.635 ± 0.003°
• γ: 90°
• Cell volume: 1468.3 ± 0.09 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.0883
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No