Information card for entry 4133674

Structure parameters

• Common name: P7
• Formula: C29 H27 N12 S
• Calculated formula: C29 H27 N12 S0.995
• Title of publication: Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.
• Authors of publication: Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 27
• Pages of publication: 10915 - 10923
• a: 20.144 ± 0.0003 Å
• b: 34.7052 ± 0.0004 Å
• c: 42.3035 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29574.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1489
• Residual factor for significantly intense reflections: 0.1365
• Weighted residual factors for significantly intense reflections: 0.4046
• Weighted residual factors for all reflections included in the refinement: 0.4231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.733
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.61992 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No