Information card for entry 4033529

Structure parameters

• Chemical name: (3S,3aR,4R,9aS)-hexahydro-2H-3,4-methanofuro[2,3-c]oxocine-2,1(3H)-dione
• Formula: C10 H12 O4
• Calculated formula: C10 H12 O4
• SMILES: O=C1[C@@H]2[C@H]3[C@@H](C2)CCC(=O)OC[C@H]3O1
• Title of publication: Intramolecular Photocycloaddition of 2(5 H)-Furanones to Temporarily Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.
• Authors of publication: Xin, Yangchun; Rodríguez-Santiago, Luís; Sodupe, Mariona; Álvarez-Larena, Angel; Busqué, Félix; Alibés, Ramon
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 6
• Pages of publication: 3188 - 3199
• a: 6.0477 ± 0.0003 Å
• b: 7.596 ± 0.0004 Å
• c: 20.0487 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 921 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No