Information card for entry 1577425

Structure parameters

• Formula: C17 H14 Cl N O3
• Calculated formula: C17 H14 Cl N O3
• Title of publication: Enantioselective Titanium-Catalyzed Cycloadditions of Thiophene-S,S-Dioxides with Indenes
• Authors of publication: Tian, Peilin; Saraiva Câmara, Viktor; Valentine, Margarita; Tinkler, Andrew P.; Crumpton, Agamemnon E.; Anderson, Edward A.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 7.2453 ± 0.00004 Å
• b: 11.54662 ± 0.00006 Å
• c: 17.00452 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1422.58 ± 0.013 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for all reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0089
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No