Information card for entry 7128635

Structure parameters

• Formula: C27 H21 Cl O3
• Calculated formula: C27 H21 Cl O3
• Title of publication: Enantioselective synthesis of tetra-substituted tetralines and tetrahydro-indolizines by NHC-catalyzed azolium-enolate cascade.
• Authors of publication: Ghosh, Arghya; Barik, Shilpa; Shee, Sayan; Biju, Akkattu T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 63
• Pages of publication: 7794 - 7797
• a: 8.8163 ± 0.0003 Å
• b: 11.2961 ± 0.0004 Å
• c: 12.0369 ± 0.0004 Å
• α: 107.789 ± 0.002°
• β: 95.854 ± 0.002°
• γ: 110.117 ± 0.002°
• Cell volume: 1042.66 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No