Information card for entry 2200721

Structure parameters

• Formula: C23 H48 O2
• Calculated formula: C23 H48 O2
• SMILES: OCCCCCCCCCCCCCCCCCCCCCCCO
• Title of publication: Tricosane-1,23-diol
• Authors of publication: Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1091 - o1093
• a: 7.23 ± 0.006 Å
• b: 63.045 ± 0.005 Å
• c: 5.041 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2298 ± 3 ų
• Cell temperature: 296.2 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: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.413
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes