Information card for entry 1555747

Structure parameters

• Formula: C19 H21 N O4
• Calculated formula: C19 H21 N O4
• SMILES: O(C1=C[C@H]2[C@]34[C@H](Oc5c(OC)ccc(c45)C[C@@H]2N(CC3)C)C1=O)C
• 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: 8.4444 ± 0.0003 Å
• b: 10.0554 ± 0.0004 Å
• c: 18.0941 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1536.4 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0268
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No