Information card for entry 7158191

Structure parameters

• Formula: C32 H29 N O6 S
• Calculated formula: C32 H29 N O6 S
• Title of publication: Diastereoselective desymmetrization reactions of prochiral para-quinamines with cyclopropenes generated in situ: access to fused hydroindol-5-one scaffolds.
• Authors of publication: Lodhi, Rajni; Prakash, Meher; Samanta, Sampak
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 33
• Pages of publication: 7129 - 7133
• a: 10.7889 ± 0.0003 Å
• b: 23.8675 ± 0.0005 Å
• c: 11.6684 ± 0.0005 Å
• α: 90°
• β: 113.658 ± 0.004°
• γ: 90°
• Cell volume: 2752.14 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.2615
• Weighted residual factors for all reflections included in the refinement: 0.302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No