Information card for entry 7159073

Structure parameters

• Formula: C36 H35 Cl N2 O7 S
• Calculated formula: C36 H35 Cl N2 O7 S
• Title of publication: Trienamine catalysed unprecedented remote olefin <i>E</i>/<i>Z</i> isomerisation/[4 + 2]-cycloaddition reaction to access spirooxindole hexahydroindoles.
• Authors of publication: Prasad, Madavi S.; Sivaprakash, Murugesan; Bharani, Sankar; Chowhan, L. Raju
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 945 - 949
• a: 14.5446 ± 0.0012 Å
• b: 7.9372 ± 0.0006 Å
• c: 15.4692 ± 0.0013 Å
• α: 90°
• β: 107.17 ± 0.003°
• γ: 90°
• Cell volume: 1706.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No