Information card for entry 2001058

Structure parameters

• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: COc1ccc(cc1)c1ccc(c(=O)cc1)OC
• Title of publication: Structures of colchicine analogues. V. 2-Methoxy-5-(4-methoxyphenyl)cyclohepta-2,4,6-trien-1-one
• Authors of publication: Gulbis, J. M.; Mackay, M. F.; Banwell, M. G.; Lambert, J. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 332 - 334
• a: 13.219 ± 0.001 Å
• b: 7.072 ± 0.001 Å
• c: 6.527 ± 0.002 Å
• α: 90°
• β: 97.23 ± 0.01°
• γ: 90°
• Cell volume: 605.3 ± 0.2 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No