Information card for entry 1503613

Structure parameters

• Formula: C29 H42 Br N O4 Si
• Calculated formula: C29 H42 Br N O4 Si
• SMILES: Brc1ccccc1[C@]12CCN=C1C(=C[C@@H]2C12OCC(CO2)(CO1)C)CO[Si](C(C)C)(C(C)C)C(C)C.Brc1ccccc1[C@@]12CCN=C1C(=C[C@H]2C12OCC(CO2)(CO1)C)CO[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Allenyl azide cycloaddition chemistry: application to the total synthesis of (±)-meloscine.
• Authors of publication: Feldman, Ken S.; Antoline, Joshua F.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 934 - 937
• a: 8.533 ± 0.004 Å
• b: 12.505 ± 0.005 Å
• c: 14.664 ± 0.006 Å
• α: 72.58 ± 0.007°
• β: 77.245 ± 0.006°
• γ: 78.328 ± 0.006°
• Cell volume: 1440.4 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2359
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No