Information card for entry 7117887

Structure parameters

• Formula: C10.17 H11.33 N1.33 O2
• Calculated formula: C10.1667 H11.3333 N1.33333 O2
• Title of publication: A four-unit [c2]daisy chain connected by hydrogen bonds.
• Authors of publication: Zhang, Qian; Zhang, Chun-Hang; Yang, Jun-Hui; Xin, Peng-Yang; Xuan, Xiao-Peng; Wang, Jian-Ge; Ma, Na-Na; Guo, Hai-Ming; Qu, Gui-Rong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 83
• Pages of publication: 15253 - 15256
• a: 48.4142 ± 0.001 Å
• b: 11.8956 ± 0.0002 Å
• c: 22.5531 ± 0.0004 Å
• α: 90°
• β: 94.643 ± 0.002°
• γ: 90°
• Cell volume: 12946.1 ± 0.4 ų
• Cell temperature: 433 ± 2 K
• Ambient diffraction temperature: 433 ± 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: 0.1067
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2701
• Weighted residual factors for all reflections included in the refinement: 0.2915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No