Information card for entry 1555746

Structure parameters

• Formula: C43 H52 Cl6 N2 O8
• Calculated formula: C43 H52 Cl6 N2 O8
• Title of publication: Access to a Structurally Complex Compound Collection via Ring Distortion of the Alkaloid Sinomenine.
• Authors of publication: Garcia, Alfredo; Drown, Bryon S.; Hergenrother, Paul J.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 4852 - 4855
• a: 18.3635 ± 0.0008 Å
• b: 25.2508 ± 0.0011 Å
• c: 9.9745 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4625.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No