Information card for entry 4103265

Structure parameters

• Formula: C50 H54 N12 O6
• Calculated formula: C50 H54 N12 O6
• Title of publication: Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage
• Authors of publication: Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14457 - 14469
• a: 9.0709 ± 0.0007 Å
• b: 10.9421 ± 0.0008 Å
• c: 12.7964 ± 0.001 Å
• α: 93.573 ± 0.001°
• β: 99.335 ± 0.001°
• γ: 104.496 ± 0.001°
• Cell volume: 1206.32 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No