Information card for entry 4028384

Structure parameters

• Formula: C19 H20 N2 O2
• Calculated formula: C19 H20 N2 O2
• SMILES: [nH]1c2[C@H]3N4[C@@H](Cc2c2cc(OC)ccc12)C(=O)[C@@H](C3)C(=C\C)/C4.[nH]1c2[C@@H]3N4[C@H](Cc2c2cc(OC)ccc12)C(=O)[C@H](C3)C(=C\C)/C4
• Title of publication: Stereospecific Approach to the Synthesis of Ring-A Oxygenated Sarpagine Indole Alkaloids. Total Synthesis of the Dimeric Indole Alkaloid P-(+)-Dispegatrine and Six Other Monomeric Indole Alkaloids
• Authors of publication: Chitra R. Edwankar; Rahul V. Edwankar; Ojas A. Namjoshi; Xuebin Liao; James M. Cook
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 6471 - 6487
• a: 24.0196 ± 0.0012 Å
• b: 7.2186 ± 0.0004 Å
• c: 9.3086 ± 0.0005 Å
• α: 90°
• β: 99.49 ± 0.001°
• γ: 90°
• Cell volume: 1591.91 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No