Information card for entry 4105026

Structure parameters

• Common name: Clarithromycin hemihydrate
• Formula: C38 H69 N O13.5
• Calculated formula: C38 H69 N O13.5
• Title of publication: Free Transport of Water and CO2 in Nonporous Hydrophobic Clarithromycin Form II Crystals
• Authors of publication: Jian Tian; Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 13216 - 13217
• a: 8.7891 ± 0.0011 Å
• b: 20.012 ± 0.003 Å
• c: 23.857 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4196.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No