Information card for entry 7216915

Structure parameters

• Formula: C34 H44 O4
• Calculated formula: C34 H44 O4
• SMILES: C1CC(CCC21OCC1(CCC3(COC4(CCC(CC4)c4ccccc4)OC3)CC1)CO2)c1ccccc1
• Title of publication: Synthesis and stereochemistry of new tetraspiro-1,3-dioxanes
• Authors of publication: Opris, Dorina; Grosu, Ion; Toupet, Loïc; Plé, Gérard; Terec, Anamaria; Mager, Sorin; Muntean, Luminita
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2413
• a: 6.077 ± 0.001 Å
• b: 83.01 ± 0.02 Å
• c: 6.219 ± 0.001 Å
• α: 90°
• β: 117.14 ± 0.01°
• γ: 90°
• Cell volume: 2791.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No