Information card for entry 1512287

Structure parameters

• Formula: C8 H18 O8
• Calculated formula: C8 H18 O8
• SMILES: O[C@]1([C@](O)([C@H](O)[C@@H](O)[C@H](O)C1)CO)CO.O.O[C@@]1([C@@](O)([C@@H](O)[C@H](O)[C@@H](O)C1)CO)CO.O
• 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: 7.7832 ± 0.0002 Å
• b: 7.8499 ± 0.0002 Å
• c: 17.0819 ± 0.0005 Å
• α: 90°
• β: 102.016 ± 0.001°
• γ: 90°
• Cell volume: 1020.79 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0343
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No