Information card for entry 7133633

Structure parameters

• Formula: C23 H19 N O3 S
• Calculated formula: C23 H19 N O3 S
• Title of publication: Rh(III)-catalyzed aldehydic and aryl C-H alkylation with cyclopropanols <i>via</i> C-H/C-C bond activation.
• Authors of publication: Dash, Om Prakash; Garg, Divya; Volla, Chandra M. R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 76
• Pages of publication: 10576 - 10579
• a: 9.7427 ± 0.0006 Å
• b: 20.8546 ± 0.0007 Å
• c: 10.5793 ± 0.0006 Å
• α: 90°
• β: 114.951 ± 0.007°
• γ: 90°
• Cell volume: 1948.9 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0731
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No