Information card for entry 1529313

Structure parameters

• Formula: C27 H29 Br N O6 P
• Calculated formula: C27 H29 Br N O6 P
• SMILES: Brc1cc2[C@](C(=O)N(c2cc1)Cc1ccccc1)([C@H](c1ccc(cc1)C)OP(=O)(OCC)OCC)O
• Title of publication: Enantioselective reductive multicomponent coupling reactions between isatins and aldehydes.
• Authors of publication: Horwitz, Matthew A.; Tanaka, Naoya; Yokosaka, Takuya; Uraguchi, Daisuke; Johnson, Jeffrey S.; Ooi, Takashi
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 6086 - 6090
• a: 10.2391 ± 0.0006 Å
• b: 11.4922 ± 0.0006 Å
• c: 24.9637 ± 0.0012 Å
• α: 91.304 ± 0.0013°
• β: 98.318 ± 0.0017°
• γ: 114.935 ± 0.0014°
• Cell volume: 2624.1 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No