Information card for entry 1569199

Structure parameters

• Formula: C22 H19 Br O3
• Calculated formula: C22 H19 Br O3
• Title of publication: Lewis acid-catalyzed diastereoselective carbofunctionalization of bicyclobutanes employing naphthols.
• Authors of publication: Guin, Avishek; Bhattacharjee, Subrata; Harariya, Mahesh Singh; Biju, Akkattu T.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6585 - 6591
• a: 10.612 ± 0.0007 Å
• b: 13.2639 ± 0.0008 Å
• c: 13.3533 ± 0.0008 Å
• α: 90°
• β: 104.195 ± 0.002°
• γ: 90°
• Cell volume: 1822.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No