Information card for entry 7213032

Structure parameters

• Formula: C19 H24 O6
• Calculated formula: C19 H24 O6
• SMILES: O1[C@]2(OC(=O)[C@H](O[C@@]32OCCCC3)[C@H](O)c2ccccc2)CCCC1.O1[C@@]2(OC(=O)[C@@H](O[C@]32OCCCC3)[C@@H](O)c2ccccc2)CCCC1
• Title of publication: Dispiroketals in synthesis. Part 25.1 Further reactions of dispiroketal protected glycolate to afford optically active 1,2,3,4-tetraols
• Authors of publication: Fujita, Morifumi; Lainé, Dramane; Ley, Steven V.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1647
• a: 9.766 ± 0.001 Å
• b: 11.568 ± 0.001 Å
• c: 9.367 ± 0.001 Å
• α: 112.21 ± 0.01°
• β: 117.65 ± 0.02°
• γ: 75.36 ± 0.02°
• Cell volume: 864 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.1252
• Weighted residual factors for significantly intense reflections: 0.1204
• Goodness-of-fit parameter for all reflections: 1.203
• Goodness-of-fit parameter for significantly intense reflections: 1.216
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No