Information card for entry 7200991

Structure parameters

• Formula: C46 H60 O10
• Calculated formula: C46 H60 O10
• Title of publication: Twisting of the resorcinarene core due to solvent effects upon crystallization
• Authors of publication: Salorinne, Kirsi; Nissinen, Maija
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1572
• a: 16.4267 ± 0.0004 Å
• b: 16.4267 ± 0.0004 Å
• c: 16.135 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4353.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2184
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No