Information card for entry 4104335

Structure parameters

• Formula: C14 H26 O2
• Calculated formula: C14 H26 O2
• SMILES: C1(CCCCC1)[C@H]([C@@]1(C[C@H]1CCCC)O)O.C1(CCCCC1)[C@@H]([C@]1(C[C@@H]1CCCC)O)O
• Title of publication: Applications of 1-Alkenyl-1,1-Heterobimetallics in the Stereoselective Synthesis of Cyclopropylboronate Esters, Trisubstituted Cyclopropanols and 2,3-Disubstituted Cyclobutanones
• Authors of publication: Mahmud M. Hussain; Hongmei Li; Nusrah Hussain; Mercedes Ureña; Patrick J. Carroll; Patrick J. Walsh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6516 - 6524
• a: 25.038 ± 0.004 Å
• b: 12.0303 ± 0.0016 Å
• c: 9.8885 ± 0.0015 Å
• α: 90°
• β: 105.419 ± 0.004°
• γ: 90°
• Cell volume: 2871.4 ± 0.7 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No