Information card for entry 4116831

Structure parameters

• Formula: C34 H34 O8
• Calculated formula: C34 H34 O8
• Title of publication: Dynamic Aspects of Lattice Inclusion Complexation Involving a Phase Change. Equilibrium, Kinetics, and Energetics of Guest-Binding to a Hydrogen-Bonded Flexible Organic Network
• Authors of publication: Takehisa Dewa; Ken Endo; Yasuhiro Aoyama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 8933 - 8940
• a: 12.847 ± 0.001 Å
• b: 9.579 ± 0.003 Å
• c: 13.343 ± 0.001 Å
• α: 90°
• β: 115.238 ± 0.006°
• γ: 90°
• Cell volume: 1485.3 ± 0.5 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0632
• Goodness-of-fit parameter for all reflections: 1.375
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No