Information card for entry 1512286

Structure parameters

• Formula: C8 H10 O6
• Calculated formula: C8 H10 O6
• SMILES: O(O)[C@@H]1[C@H]2OO[C@]3(C(=C2)COOC3)C1.O(O)[C@H]1[C@@H]2OO[C@@]3(C(=C2)COOC3)C1
• Title of publication: Trisequential photooxygenation reaction: application to the synthesis of carbasugars.
• Authors of publication: Baran, Arif; Aydin, Gokay; Savran, Tahir; Sahin, Ertan; Balci, Metin
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 4350 - 4353
• a: 6.0191 ± 0.0005 Å
• b: 10.9331 ± 0.0007 Å
• c: 13.1204 ± 0.0008 Å
• α: 90°
• β: 92.995 ± 0.004°
• γ: 90°
• Cell volume: 862.24 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0522
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No