Information card for entry 4116971

Structure parameters

• Formula: C84 H84 O16
• Calculated formula: C84 H80 O16
• Title of publication: Catalysis by Organic Solids. Stereoselective Diels-Alder Reactions Promoted by Microporous Molecular Crystals Having an Extensive Hydrogen-Bonded Network
• Authors of publication: Ken Endo; Takashi Koike; Tomoya Sawaki; Osamu Hayashida; Hideki Masuda; Yasuhiro Aoyama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 4117 - 4122
• a: 23.804 ± 0.006 Å
• b: 13.814 ± 0.004 Å
• c: 24.314 ± 0.003 Å
• α: 90°
• β: 109.34 ± 0.01°
• γ: 90°
• Cell volume: 7544 ± 3 ų
• Cell temperature: 230 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: 0.062
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for significantly intense reflections: 1.606
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No