Information card for entry 7159464

Structure parameters

• Formula: C16 H18 O4
• Calculated formula: C16 H18 O4
• SMILES: O1C2=C(C(=O)C[C@H](c3occc3)C2)[C@@H]2C[C@@]1(O)CCC2.O1C2=C(C(=O)C[C@@H](c3occc3)C2)[C@H]2C[C@]1(O)CCC2
• Title of publication: A micelle-mediated approach enables facile access to bridged oxabicyclo[<i>n</i>.3.1]alkene scaffolds.
• Authors of publication: Wani, Mohmad Muzafar; Rashid, Auqib; Bhat, Bilal A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 30
• Pages of publication: 6151 - 6159
• a: 5.8721 ± 0.0002 Å
• b: 21.5158 ± 0.0007 Å
• c: 12.7252 ± 0.0004 Å
• α: 90°
• β: 98.689 ± 0.003°
• γ: 90°
• Cell volume: 1589.29 ± 0.09 ų
• Cell temperature: 293 ± 10 K
• Ambient diffraction temperature: 293 ± 10 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: 0.1059
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No