Information card for entry 4020048

Structure parameters

• Formula: C23 H33 N O7
• Calculated formula: C23 H33 N O7
• Authors of publication: Kay M. Brummond; Sang-phyo Hong
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 907 - 916
• a: 9.147 ± 0.001 Å
• b: 24.654 ± 0.003 Å
• c: 10.642 ± 0.002 Å
• α: 90°
• β: 103.71 ± 0.01°
• γ: 90°
• Cell volume: 2331.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections: 0.1382
• Weighted residual factors for significantly intense reflections: 0.1099
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No