Information card for entry 7124610

Structure parameters

• Common name: C17H15BrO2
• Chemical name: (Z)-(3-(4-Bromobenzylidene)-2-methyl-2,3-dihydrobenzofuran-2-yl)methanol
• Formula: C17 H15 Br O2
• Calculated formula: C17 H15 Br O2
• Title of publication: Enantioselective intramolecular cyclization of alkynyl esters catalyzed by a chiral Brønsted base.
• Authors of publication: Kondoh, Azusa; Tran, Hoa Thi Quynh; Kimura, Kyoko; Terada, Masahiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 33
• Pages of publication: 5726 - 5729
• a: 5.9605 ± 0.0006 Å
• b: 32.909 ± 0.003 Å
• c: 7.1915 ± 0.0007 Å
• α: 90°
• β: 91.991 ± 0.003°
• γ: 90°
• Cell volume: 1409.8 ± 0.2 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No