Information card for entry 7153745

Structure parameters

• Chemical name: ethyl-4,6-di(1H-indol-3-yl)-1-phenylpiperidin-2-carboxylate
• Formula: C30 H29 N3 O2
• Calculated formula: C30 H29 N3 O2
• SMILES: N1([C@@H](C[C@H](C[C@H]1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2)C(=O)OCC)c1ccccc1
• Title of publication: Asymmetric organocatalytic synthesis of 4,6-bis(1H-indole-3-yl)-piperidine-2 carboxylates.
• Authors of publication: Zhong, Sabilla; Nieger, Martin; Bihlmeier, Angela; Shi, Min; Bräse, Stefan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 3265 - 3270
• a: 7.9687 ± 0.0008 Å
• b: 9.4665 ± 0.0009 Å
• c: 9.6211 ± 0.0009 Å
• α: 62.398 ± 0.009°
• β: 77.124 ± 0.008°
• γ: 81.985 ± 0.008°
• Cell volume: 626.45 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No