Information card for entry 2001243

Structure parameters

• Formula: C17 H18 O5
• Calculated formula: C17 H18 O5
• SMILES: O=C1C(O)(C(=C(C(=C1C(=O)CCc1ccccc1)O)C)O)C
• Title of publication: Ceratiolin from <i>Ceratiola ericoides</i>
• Authors of publication: Tak, H.; Fronczek, F. R.; Fischer, N. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1990 - 1992
• a: 7.5972 ± 0.001 Å
• b: 8.9585 ± 0.001 Å
• c: 12.672 ± 0.002 Å
• α: 73.824 ± 0.011°
• β: 76.383 ± 0.011°
• γ: 67.823 ± 0.001°
• Cell volume: 758.76 ± 0.18 ų
• Cell temperature: 299 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 2.857
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No