Information card for entry 4020477

Structure parameters

• Formula: C27 H33 Cl3 O8 Si
• Calculated formula: C27 H33 Cl3 O8 Si
• SMILES: [Si]1(O[C@@H]2[C@H]3O[C@H]3C(=O)[C@]34[C@@]52[C@]26[C@H](O1)[C@H]1O[C@H]1C(=O)[C@]12[C@H]([C@@H]3[C@H](O[C@@H]51)C)[C@H](O[C@H]46)C)(C(C)C)C(C)C.ClC(Cl)Cl
• Title of publication: Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization
• Authors of publication: Chaomin Li; John A. Porco, Jr.
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6053 - 6065
• a: 14.3118 ± 0.0012 Å
• b: 7.8572 ± 0.0007 Å
• c: 14.4216 ± 0.0012 Å
• α: 90°
• β: 114.959 ± 0.002°
• γ: 90°
• Cell volume: 1470.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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