Information card for entry 1514881

Structure parameters

• Formula: C10 H14 O2
• Calculated formula: C10 H14 O2
• SMILES: OC[C@H]([C@H](CO)CC#C)CC#C
• Title of publication: Stereo- and regioselective cyclopolymerization of chiral 1,7-octadiynes
• Authors of publication: Unold, Jörg; Wang, Dongren; Frey, Wolfgang; Buchmeiser, Michael R.
• Journal of publication: Polymer Chemistry
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 15
• Pages of publication: 4219
• a: 14.8047 ± 0.0019 Å
• b: 24.843 ± 0.003 Å
• c: 5.0851 ± 0.0007 Å
• α: 90°
• β: 101.707 ± 0.006°
• γ: 90°
• Cell volume: 1831.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No