Information card for entry 1514334

Structure parameters

• Formula: C18 H34 I N O3 Si
• Calculated formula: C18 H34 I N O3 Si
• SMILES: IC(=C\[C@@H](C)[C@H]1OC(=O)N[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(C)C)\C
• Title of publication: Synthetic Strategy toward the C44-C65 Fragment of Mirabalin.
• Authors of publication: Echeverria, Pierre-Georges; Prévost, Sébastien; Cornil, Johan; Férard, Charlène; Reymond, Sébastien; Guérinot, Amandine; Cossy, Janine; Ratovelomanana-Vidal, Virginie; Phansavath, Phannarath
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 2390 - 2393
• a: 13.5145 ± 0.0004 Å
• b: 22.4036 ± 0.0007 Å
• c: 22.9937 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6961.9 ± 0.4 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• 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: 0.1523
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.2809
• Weighted residual factors for all reflections included in the refinement: 0.3152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No