Information card for entry 1502584

Structure parameters

• Common name: Organic
• Chemical name: Organic
• Formula: C24 H30 Br N O4 Si
• Calculated formula: C24 H30 Br N O4 Si
• SMILES: Brc1ccc([C@H]2N([C@](C(=O)C2)(O[Si](C)(C)C(C)(C)C)C(=O)OC)c2ccccc2)cc1.Brc1ccc([C@@H]2N([C@@](C(=O)C2)(O[Si](C)(C)C(C)(C)C)C(=O)OC)c2ccccc2)cc1
• Title of publication: Multifunctionalized 3-hydroxypyrroles in a three-step, one-pot cascade process from methyl 3-TBSO-2-diazo-3-butenoate and nitrones.
• Authors of publication: Xu, Xinfang; Ratnikov, Maxim O.; Zavalij, Peter Y.; Doyle, Michael P.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6122 - 6125
• a: 8.1512 ± 0.0004 Å
• b: 17.576 ± 0.001 Å
• c: 17.2991 ± 0.001 Å
• α: 90°
• β: 102.651 ± 0.001°
• γ: 90°
• Cell volume: 2418.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No