Information card for entry 1548020

Structure parameters

• Common name: C10 H8.50 N O2
• Formula: C10 H8.5 N O2
• Calculated formula: C10 H6.5 N O2
• Title of publication: Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework
• Authors of publication: You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 11564
• a: 17.289 ± 0.006 Å
• b: 17.289 ± 0.006 Å
• c: 12.957 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3873 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 133
• Hermann-Mauguin space group symbol: P 42/n b c
• Hall space group symbol: -P 4ac 2b
• Residual factor for all reflections: 0.3197
• Residual factor for significantly intense reflections: 0.2856
• Weighted residual factors for significantly intense reflections: 0.5842
• Weighted residual factors for all reflections included in the refinement: 0.6084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No