Information card for entry 2000838

Structure parameters

• Formula: C17 H14 O7
• Calculated formula: C17 H14 O7
• SMILES: COc1ccc(cc1)c1oc2c(OC)c(O)cc(c2c(=O)c1O)O
• Title of publication: Structure of prudomestin
• Authors of publication: Parmar, V. S.; Vardhan, A.; Sharma, R. K.; Alcock, N. W.; Errington, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1090 - 1092
• a: 6.579 ± 0.005 Å
• b: 8.441 ± 0.007 Å
• c: 13.893 ± 0.014 Å
• α: 101.92 ± 0.09°
• β: 103.38 ± 0.06°
• γ: 97.44 ± 0.06°
• Cell volume: 721.5 ± 1.2 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No