Information card for entry 4035171

Structure parameters

• Common name: 673
• Formula: C16 H26 O4
• Calculated formula: C16 H26 O4
• 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: 10.3207 ± 0.0002 Å
• b: 13.0112 ± 0.0003 Å
• c: 24.0063 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3223.68 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No