Information card for entry 7115824

Structure parameters

• Chemical name: HOF-4
• Formula: C61 H48 N20
• Calculated formula: C61 H48 N20
• SMILES: C(c1ccc(cc1)c1ccc(cc1)c1nc(N)nc(n1)N)(c1ccc(cc1)c1ccc(cc1)c1nc(nc(n1)N)N)(c1ccc(cc1)c1ccc(cc1)c1nc(nc(n1)N)N)c1ccc(cc1)c1ccc(cc1)c1nc(nc(n1)N)N
• Title of publication: A microporous six-fold interpenetrated hydrogen-bonded organic framework for highly selective separation of C2H4/C2H6
• Authors of publication: Peng Li; Yabing He; Hadi D. Arman; Rajamani Krishna; Hailong Wang; Linhong Weng; Banglin Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13081
• a: 20.212 ± 0.006 Å
• b: 7.275 ± 0.002 Å
• c: 26.666 ± 0.008 Å
• α: 90°
• β: 90.606 ± 0.006°
• γ: 90°
• Cell volume: 3921 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1442
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No