Information card for entry 7106262

Structure parameters

• Formula: C32.7 H30.7 Cl2.1 N2 O10
• Calculated formula: C32.7 H30.7 Cl2.1 N2 O10
• Title of publication: 'Inosaminoacids': novel inosito-amino acid hybrid structures accessed by microbial arene oxidation
• Authors of publication: Sarah Pilgrim; Gabriele Kociok-Kohn; Matthew D. Lloyd; Simon E. Lewis
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4799
• a: 11.3398 ± 0.0004 Å
• b: 9.8085 ± 0.0004 Å
• c: 15.1771 ± 0.0008 Å
• α: 90°
• β: 97.93 ± 0.004°
• γ: 90°
• Cell volume: 1671.95 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No