Information card for entry 4032143

Structure parameters

• Formula: C37 H52 N2 O6 Si
• Calculated formula: C37 H52 N2 O6 Si
• Title of publication: Construction of the Azacyclic Core of Tabernaemontanine-Related Alkaloids via Tandem Reformatsky-Aza-Claisen Rearrangement.
• Authors of publication: Suh, Young-Ger; Lim, Changjin; Sim, Jaehoon; Lee, Jae Kyun; Surh, Young-Joon; Paek, Seung-Mann
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 3
• Pages of publication: 1464 - 1470
• a: 12.88956 ± 0.00005 Å
• b: 18.7538 ± 0.00007 Å
• c: 15.37317 ± 0.00005 Å
• α: 90°
• β: 95.7738 ± 0.0003°
• γ: 90°
• Cell volume: 3697.28 ± 0.02 ų
• Cell temperature: 169.91 ± 0.1 K
• Ambient diffraction temperature: 169.91 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No