Information card for entry 4032668

Structure parameters

• Formula: C24 H31 N O4 Si
• Calculated formula: C24 H31 N O4 Si
• SMILES: c12cc3OCOc3cc1[C@@]13C=C[C@@H](C[C@@H]1N(C/C3=C\C)C2=O)O[Si](C)(C)C(C)(C)C.c12cc3OCOc3cc1[C@]13C=C[C@H](C[C@H]1N(C/C3=C\C)C2=O)O[Si](C)(C)C(C)(C)C
• Title of publication: A Total Synthesis of (±)-3-O-Demethylmacronine through Rearrangement of a Precursor Embodying the Haemanthidine Alkaloid Framework.
• Authors of publication: Ma, Xiang; Gao, Nadia; Banwell, Martin G.; Carr, Paul D.; Willis, Anthony C.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 8
• Pages of publication: 4336 - 4341
• a: 34.451 ± 0.0004 Å
• b: 27.1978 ± 0.0004 Å
• c: 9.5573 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8955.11 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No