Information card for entry 2000923

Structure parameters

• Formula: C21 H26 O3
• Calculated formula: C21 H26 O3
• SMILES: O(CCCCCCCC)c1ccc(c(O)c1)C(=O)c1ccccc1
• Title of publication: Structure of octabenzone
• Authors of publication: Brito, I.; Cataldo, F.; Astudillo, L.; Rivera, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 934 - 936
• a: 10.186 ± 0.001 Å
• b: 5.546 ± 0.001 Å
• c: 33.232 ± 0.002 Å
• α: 90°
• β: 98.48 ± 0.04°
• γ: 90°
• Cell volume: 1856.8 ± 0.4 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No