Information card for entry 7125818

Structure parameters

• Chemical name: HOF
• Formula: C31 H29 N13 O
• Calculated formula: C31 H28 N13 O
• Title of publication: An ultrafast responsive NO₂ gas sensor based on a hydrogen-bonded organic framework material.
• Authors of publication: Wang, Yijie; Liu, Di; Yin, Jianbo; Shang, Yanxue; Du, Juan; Kang, Zixi; Wang, Rongming; Chen, Yanli; Sun, Daofeng; Jiang, Jianzhuang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 703 - 706
• a: 16.6866 ± 0.0006 Å
• b: 6.5849 ± 0.0003 Å
• c: 34.8753 ± 0.0018 Å
• α: 90°
• β: 94.826 ± 0.004°
• γ: 90°
• Cell volume: 3818.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.1338
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No