Information card for entry 7152740

Structure parameters

• Formula: C11 H16 O2
• Calculated formula: C11 H16 O2
• SMILES: O[C@]1([C@@H]2C=C[C@H]1[C@H](C2)CO)CC=C.O[C@@]1([C@H]2C=C[C@@H]1[C@@H](C2)CO)CC=C
• Title of publication: The stereochemical outcome of allyl magnesium and indium additions to 5-substituted norbornen-7-ones and its application to cis fused carbocycle formation via ring rearrangement metathesis.
• Authors of publication: Standen, Patricia E.; Dodia, Dharati; Elsegood, Mark R. J.; Teat, Simon J.; Kimber, Marc C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 43
• Pages of publication: 8669 - 8676
• a: 11.3188 ± 0.0014 Å
• b: 7.8255 ± 0.001 Å
• c: 11.8409 ± 0.0015 Å
• α: 90°
• β: 107.775 ± 0.0018°
• γ: 90°
• Cell volume: 998.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No