Information card for entry 1545327

Structure parameters

• Formula: C30.5 H30 N2 O4.5
• Calculated formula: C30.5 H30 N2 O4.5
• Title of publication: An Asymmetric Organocatalysis Approach to the Prenylated Alkaloid Family.
• Authors of publication: Rees, Matthew; Simpkins, Nigel S.; Male, Louise
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 1338 - 1341
• a: 8.7385 ± 0.0001 Å
• b: 8.77985 ± 0.00012 Å
• c: 65.4284 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5019.84 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0484
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No