Information card for entry 7153173

Structure parameters

• Formula: C13 H18 O3
• Calculated formula: C13 H18 O3
• Title of publication: Synthesis of rac-Lindenene via a thermally induced cyclopropanation reaction.
• Authors of publication: Fenlon, Thomas W.; Jones, Michael W.; Adlington, Robert M.; Lee, Victor
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 46
• Pages of publication: 8026 - 8029
• a: 6.8219 ± 0.0002 Å
• b: 9.1724 ± 0.0004 Å
• c: 9.3248 ± 0.0004 Å
• α: 88.1107 ± 0.0017°
• β: 79.4709 ± 0.0016°
• γ: 80.956 ± 0.002°
• Cell volume: 566.52 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.1182
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No