Information card for entry 7150817

Structure parameters

• Formula: C12 H14 O5
• Calculated formula: C12 H14 O5
• Title of publication: The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles
• Authors of publication: Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 693 - 702
• a: 7.8054 ± 0.0005 Å
• b: 10.1991 ± 0.0009 Å
• c: 14.3886 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1145.45 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.6884 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No