Information card for entry 4028094

Structure parameters

• Formula: C24 H16 O4
• Calculated formula: C24 H16 O4
• SMILES: O1[C@]2(Oc3c([C@H](C2)c2c(=O)oc4c(c12)cccc4)cccc3)c1ccccc1.O1[C@@]2(Oc3c([C@@H](C2)c2c(=O)oc4c(c12)cccc4)cccc3)c1ccccc1
• Title of publication: Stereoselective Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Michael Addition/Bicyclization Reaction
• Authors of publication: Guodong Yin; Tianbing Ren; Yin Rao; Yifan Zhou; Zhexian Li; Wenming Shu; Anxin Wu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 3132 - 3141
• a: 7.559 ± 0.006 Å
• b: 19.638 ± 0.015 Å
• c: 12.109 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1798 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No