Information card for entry 7107321

Structure parameters

• Formula: C23 H25 N O5
• Calculated formula: C23 H25 N O5
• SMILES: O1[C@@H]([C@]2(c3c(N([C@H]2C1(C(=O)OC)C(=O)OC)C)cccc3)C)c1ccc(cc1)C
• Title of publication: Ni(ClO4)2-catalysed regio- and diastereoselective [3+2] cycloaddition of indoles and aryl oxiranyl-dicarboxylates/diketones: a facile access to furo[3,4-b]indoles
• Authors of publication: Jieming Zhang; Zuliang Chen; Hai-Hong Wu; Junliang Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1817
• a: 7.9672 ± 0.0003 Å
• b: 12.0266 ± 0.0005 Å
• c: 21.1513 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2026.68 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No