Information card for entry 2000327

Structure parameters

• Formula: C13 H16 O3
• Calculated formula: C13 H16 O3
• SMILES: COc1cc2OC(C)(C)C=Cc2cc1OC
• Title of publication: Structure of 6,7-dimethoxy-2,2-dimethyl-2<i>H</i>-chromene, a natural precocene
• Authors of publication: Zukerman-Schpector, J.; De Simone, C. A.; Castellano, E. E.; Oliva, G.; Tercio, J.; Ferreira, B.; Catani, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1111 - 1113
• a: 14.358 ± 0.002 Å
• b: 9.297 ± 0.001 Å
• c: 9.011 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1202.8 ± 0.3 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P c a 21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No