Information card for entry 4021040

Structure parameters

• Formula: C12 H14 O7
• Calculated formula: C12 H14 O7
• SMILES: O1C(=C[C@@H]2C(=O)O[C@H]3[C@@H]2[C@@]1(O[C@@H]3OC)C(=O)OC)C
• Title of publication: Elaboration of D-(-)-Ribose into a Tricyclic, Natural Product-like Scaffold
• Authors of publication: Roland Messer; Andrea Schmitz; Luzia Moesch; Robert Häner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8558 - 8560
• a: 6.6752 ± 0.0009 Å
• b: 10.3589 ± 0.001 Å
• c: 8.709 ± 0.0011 Å
• α: 90°
• β: 91.698 ± 0.016°
• γ: 90°
• Cell volume: 601.94 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No