Information card for entry 4035172

Structure parameters

• Common name: 785
• Formula: C15 H23 N O3
• Calculated formula: C15 H23 N O3
• SMILES: O1N=C2[C@]3([C@@H]1CC[C@H]3[C@H]([C@@H](C2)C(C)C)C(=O)OC)C
• Title of publication: Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.
• Authors of publication: Williams, Benjamin M.; Trauner, Dirk
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 6
• Pages of publication: 3061 - 3068
• a: 22.4524 ± 0.0008 Å
• b: 6.2502 ± 0.0002 Å
• c: 10.4159 ± 0.0004 Å
• α: 90°
• β: 102.201 ± 0.0013°
• γ: 90°
• Cell volume: 1428.67 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No