Information card for entry 1505647

Structure parameters

• Formula: C13 H18 N2 O2 Si
• Calculated formula: C13 H18 N2 O2 Si
• SMILES: [Si](c1[nH]c(c2[nH]c(c(OC)c2)C=O)cc1)(C)(C)C
• Title of publication: Total syntheses of tambjamines C, E, F, G, H, I and J, BE-18591, and a related alkaloid from the marine bacterium Pseudoalteromonas tunicata.
• Authors of publication: Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 5127 - 5130
• a: 15.0927 ± 0.0008 Å
• b: 31.3789 ± 0.0016 Å
• c: 15.938 ± 0.0009 Å
• α: 90°
• β: 108.825 ± 0.002°
• γ: 90°
• Cell volume: 7144.4 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1516
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No