Information card for entry 1503440

Structure parameters

• Formula: C45.71 H55.01 N3.86 O12.14
• Calculated formula: C45.712 H55.008 N3.856 O12.144
• Title of publication: Photoresponsive host-guest systems based on a new azobenzene-containing cryptand.
• Authors of publication: Liu, Ming; Yan, Xuzhou; Hu, Menglong; Chen, Xiaopeng; Zhang, Mingming; Zheng, Bo; Hu, Xiaohuan; Shao, Shuang; Huang, Feihe
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 2558 - 2561
• a: 18.093 ± 0.004 Å
• b: 9.0114 ± 0.0018 Å
• c: 28.029 ± 0.006 Å
• α: 90°
• β: 101.57 ± 0.03°
• γ: 90°
• Cell volume: 4477.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No