Information card for entry 1100250

Structure parameters

• Chemical name: 2,2,2',2',2'',2'',2''',2''',5,5',5'',5'''-Dodecamethyl-4,4':6',4'':6'',4'''-qu ater-1,3-dioxane
• Formula: C28 H50 O8
• Calculated formula: C28 H50 O8
• SMILES: C1(O[C@@H]([C@H](CO1)C)[C@H]1OC(O[C@H]([C@@H]1C)[C@@H]1OC(O[C@@H]([C@H]1C)[C@H]1OC(OC[C@@H]1C)(C)C)(C)C)(C)C)(C)C
• Authors of publication: K.Harms
• Journal of publication: Private Communication
• Year of publication: 2002
• a: 10.0153 ± 0.001 Å
• b: 16.3832 ± 0.0016 Å
• c: 17.871 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2932.32 ų
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 6.84
• Weighted residual factors for significantly intense reflections: 6.84
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No