Information card for entry 1516652

Structure parameters

• Formula: C18 H22 O3
• Calculated formula: C18 H22 O3
• SMILES: O=C1[C@@]23[C@H](C[C@@H](C=C)C2)C=CC[C@]1(CC=CC3)C(=O)OC.O=C1[C@]23[C@@H](C[C@H](C=C)C2)C=CC[C@@]1(CC=CC3)C(=O)OC
• Title of publication: Domino metathesis involving ROM-RCM of substituted norbornenes. Rapid access to densely functionalized tricyclic bridged and condensed ring systems
• Authors of publication: Malik, Chanchal K.; Ghosh, Subrata
• Journal of publication: Organic Letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 2537 - 2540
• a: 10.2279 ± 0.0013 Å
• b: 10.6309 ± 0.0013 Å
• c: 15.392 ± 0.0019 Å
• α: 80.421 ± 0.002°
• β: 71.857 ± 0.002°
• γ: 89.308 ± 0.002°
• Cell volume: 1566.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1124
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1505431
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No