Information card for entry 7116346

Structure parameters

• Chemical name: 6-(4-bromophenyl)-5-phenyl-3,4-dihydro-2H-pyran
• Formula: C17 H15 Br O
• Calculated formula: C17 H15 Br O
• SMILES: Brc1ccc(cc1)C1=C(CCCO1)c1ccccc1
• Title of publication: Cu-catalyzed intramolecular aryl-etherification reactions of alkoxyl alkynes with diaryliodonium salts via cleavage of a stable C-O bond
• Authors of publication: Jing Chen; Chao Chen; Junjie Chen; Guohua Wang; Hongmei Qu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1356
• a: 5.7276 ± 0.0019 Å
• b: 18.038 ± 0.007 Å
• c: 13.687 ± 0.005 Å
• α: 90°
• β: 100.05 ± 0.03°
• γ: 90°
• Cell volume: 1392.4 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No