Information card for entry 7156086

Structure parameters

• Formula: C16 H20 O4
• Calculated formula: C16 H20 O4
• Title of publication: Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.
• Authors of publication: Peter, Clovis; Geoffroy, Philippe; Miesch, Michel
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 1381 - 1389
• a: 10.4839 ± 0.0007 Å
• b: 13.1593 ± 0.001 Å
• c: 21.3419 ± 0.0015 Å
• α: 90°
• β: 103.329 ± 0.002°
• γ: 90°
• Cell volume: 2865 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No