Information card for entry 2237401

Structure parameters

• Chemical name: (6b<i>S</i>*,14<i>R</i>*,14a<i>R</i>*)-Methyl 14-(4-methylphenyl)-7-oxo-6b,6c,7,12b,14,14a-hexahydro-1<i>H</i>- pyrano[3,2-<i>c</i>:5,4-<i>c</i>']dichromene-14a-carboxylate
• Formula: C28 H22 O6
• Calculated formula: C28 H22 O6
• SMILES: o1c2ccccc2c2O[C@@H]([C@]3([C@@H](c2c1=O)c1c(OC3)cccc1)C(=O)OC)c1ccc(cc1)C.o1c2ccccc2c2O[C@H]([C@@]3([C@H](c2c1=O)c1c(OC3)cccc1)C(=O)OC)c1ccc(cc1)C
• Title of publication: (6b<i>S</i>*,14<i>R</i>*,14a<i>R</i>*)-Methyl 14-(4-methylphenyl)-7-oxo-6b,6c,7,12b,14,14a-hexahydro-1<i>H</i>-pyrano[3,2-<i>c</i>:5,4-<i>c</i>']dichromene-14a-carboxylate
• Authors of publication: Ponnusamy, R.; Sabari, V.; Sivakumar, G.; Bakthadoss, M.; Aravindhan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o267 - o268
• a: 9.526 ± 0.005 Å
• b: 10.711 ± 0.005 Å
• c: 21.975 ± 0.005 Å
• α: 90°
• β: 97.397 ± 0.005°
• γ: 90°
• Cell volume: 2223.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes