Information card for entry 1507516

Structure parameters

• Formula: C70 H100 B4 O26
• Calculated formula: C70 H60 B4 O26
• Title of publication: Solid-State Supramolecular Structures of Resorcinol−Arylboronic Acid Compounds
• Authors of publication: Davis, Claude J.; Lewis, Patrick T.; Billodeaux, Damon R.; Fronczek, Frank R.; Escobedo, Jorge O.; Strongin, Robert M.
• Journal of publication: Organic Letters
• Year of publication: 2001
• Journal volume: 3
• Journal issue: 16
• Pages of publication: 2443
• a: 12.105 ± 0.001 Å
• b: 12.145 ± 0.004 Å
• c: 13.547 ± 0.002 Å
• α: 74.72 ± 0.02°
• β: 66.281 ± 0.008°
• γ: 81.38 ± 0.02°
• Cell volume: 1756.8 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.151
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for all reflections: 3.931
• Goodness-of-fit parameter for significantly intense reflections: 3.697
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No