Information card for entry 1554880

Structure parameters

• Common name: JSGP1059
• Chemical name: trans-(6Z,8Z)-1,5-Dimethylcyclonona-6,8-diene-1,5-diyl)dimethanol
• Formula: C13 H22 O2
• Calculated formula: C13 H22 O2
• SMILES: [C@@]1(CCC[C@](/C=C\C=C/1)(CO)C)(CO)C.[C@]1(CCC[C@@](/C=C\C=C/1)(CO)C)(CO)C
• Title of publication: A two-step, stereoselective synthesis of nine- and ten-membered carbocycles from phthalates.
• Authors of publication: Prado, Gustavo; Veiga, Alberte X.; Fernández-Nieto, Fernando; Paleo, M. Rita; Sardina, F. Javier
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2054 - 2057
• a: 14.0887 ± 0.0005 Å
• b: 10.5929 ± 0.0004 Å
• c: 9.0247 ± 0.0003 Å
• α: 90°
• β: 114.771 ± 0.002°
• γ: 90°
• Cell volume: 1222.92 ± 0.08 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: 0.0604
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No