Information card for entry 7004463

Structure parameters

• Formula: C224 H370 B70 O23
• Calculated formula: C224 H358 B70 O23
• Title of publication: Carborane inclusion chemistry for the uncommon calix[7,9]arenes
• Authors of publication: Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4855 - 4859
• a: 12.2461 ± 0.0009 Å
• b: 30.9771 ± 0.0009 Å
• c: 19.4645 ± 0.0008 Å
• α: 90°
• β: 95.833 ± 0.005°
• γ: 90°
• Cell volume: 7345.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.2129
• Residual factor for significantly intense reflections: 0.1337
• Weighted residual factors for significantly intense reflections: 0.3489
• Weighted residual factors for all reflections included in the refinement: 0.3837
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No