Information card for entry 4028380

Structure parameters

• Formula: C32.75 H46.75 Cl2.25 N2 O4
• Calculated formula: C32.75 H46.75 Cl2.25 N2 O4
• Title of publication: A Model System for the Synthesis of Complanadine Alkaloids by "Diverted Kondrat'eva" Oxazole-Olefin Cycloaddition
• Authors of publication: Mario Uosis-Martin; G. Dan Pantoş; Mary F. Mahon; Simon E. Lewis
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 6253 - 6263
• a: 14.8975 ± 0.0016 Å
• b: 7.3862 ± 0.0004 Å
• c: 30.776 ± 0.003 Å
• α: 90°
• β: 97.729 ± 0.008°
• γ: 90°
• Cell volume: 3355.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.2796
• Weighted residual factors for all reflections included in the refinement: 0.3348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No