Information card for entry 1502332

Structure parameters

• Formula: C33 H28 O6
• Calculated formula: C33 H28 O6
• SMILES: O=C(c1c([C@H]2[C@@]3(c4c5c2ccc(OCOC)c5c(OC)cc4)C=CC(=O)c2c(OC)cccc32)cccc1)C.O=C(c1c([C@@H]2[C@]3(c4c5c2ccc(OCOC)c5c(OC)cc4)C=CC(=O)c2c(OC)cccc32)cccc1)C
• Title of publication: A concise approach to the dalesconol skeleton.
• Authors of publication: Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4494 - 4497
• a: 8.1397 ± 0.0008 Å
• b: 32.018 ± 0.003 Å
• c: 9.9603 ± 0.0011 Å
• α: 90°
• β: 97.59 ± 0.007°
• γ: 90°
• Cell volume: 2573.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No