Information card for entry 4503174

Structure parameters

• Formula: C20 H42 O2
• Calculated formula: C20 H42 O2
• SMILES: C(O)CCCCCCCCCCCCCCCCCCCO
• Title of publication: Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms
• Authors of publication: Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 592
• a: 9.697 ± 0.003 Å
• b: 5.2313 ± 0.0016 Å
• c: 39.674 ± 0.003 Å
• α: 90°
• β: 91.747 ± 0.015°
• γ: 90°
• Cell volume: 2011.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No