Information card for entry 7159972

Structure parameters

• Formula: C25 H24 Cl N O7 S
• Calculated formula: C25 H24 Cl N O7 S
• Title of publication: Regioselective Brønsted acid catalyzed ring opening of aziridines by phenols and thiophenols; a gateway to access functionalized indolines, indoles, benzothiazines, dihydrobenzo-thiazines, benzo-oxazines and benzochromenes.
• Authors of publication: Roy, Arnab; Duari, Surajit; Maity, Srabani; Biswas, Subrata; Mishra, Abhishek Kumar; Biswas, Srijit
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 27
• Pages of publication: 5653 - 5664
• a: 12.317 ± 0.003 Å
• b: 12.681 ± 0.003 Å
• c: 18.882 ± 0.004 Å
• α: 97.653 ± 0.006°
• β: 104.022 ± 0.007°
• γ: 92.139 ± 0.007°
• Cell volume: 2828.4 ± 1.1 ų
• Cell temperature: 175.06 K
• Ambient diffraction temperature: 175.06 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1467
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No