Information card for entry 7238722

Structure parameters

• Formula: C27 H24 N2 O3 S
• Calculated formula: C27 H24 N2 O3 S
• Title of publication: A carbanion induced ring switching synthesis of spiranes: an unprecedented approach
• Authors of publication: Maurya, Hardesh K.; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Huch, Volker; Tandon, Vishnu K.; Ji Ram, Vishnu
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 24
• Pages of publication: 9091
• a: 7.7227 ± 0.0006 Å
• b: 11.4586 ± 0.0009 Å
• c: 13.0552 ± 0.0011 Å
• α: 78.782 ± 0.004°
• β: 81.895 ± 0.004°
• γ: 80.857 ± 0.004°
• Cell volume: 1111.55 ± 0.16 ų
• Cell temperature: 132 ± 2 K
• Ambient diffraction temperature: 132 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No