Information card for entry 7126355

Structure parameters

• Formula: C27 H30 N2 O3 S2
• Calculated formula: C27 H30 N2 O3 S2
• Title of publication: Rhodium-catalyzed Sommelet-Hauser type rearrangement of α-diazoimines: synthesis of functionalized enamides.
• Authors of publication: Reddy, Angula Chandra Shekar; Ramachandran, Kuppan; Reddy, Palagulla Maheswar; Anbarasan, Pazhamalai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 42
• Pages of publication: 5649 - 5652
• a: 13.557 ± 0.0009 Å
• b: 15.9431 ± 0.0009 Å
• c: 12.6454 ± 0.0008 Å
• α: 90°
• β: 101.401 ± 0.002°
• γ: 90°
• Cell volume: 2679.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No