Information card for entry 7104632

Structure parameters

• Common name: Ethyl
• Formula: C31 H31 N O3
• Calculated formula: C31 H31 N O3
• SMILES: c1ccccc1CN1[C@H]2CCC[C@@H]3[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)c1c3cc(cc1)C(=O)OCC.c1ccccc1CN1[C@@H]2CCC[C@H]3[C@@H]2[C@H](C1=O)[C@@H](c1ccccc1)c1c3cc(cc1)C(=O)OCC
• Title of publication: Rapid construction of five contiguous stereocenters in a multi-cascade reaction.
• Authors of publication: Hu, Yimin; Ouyang, Ying; Qu, Yuan; Hu, Qiong; Yao, Hao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 30
• Pages of publication: 4575 - 4577
• a: 10.4744 ± 0.0012 Å
• b: 11.326 ± 0.0018 Å
• c: 12.1119 ± 0.0014 Å
• α: 101.212 ± 0.002°
• β: 114.341 ± 0.003°
• γ: 98.914 ± 0.001°
• Cell volume: 1239 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No