Information card for entry 2014553

Structure parameters

• Chemical name: 5,5',6,6'-tetramethoxy-3,3',4,4'-tetrahydro-2H,2'H-3,3':4,4'- bi(furo[2,3-h]-1-benzopyran)-2,2'-dione
• Formula: C26 H20 O10
• Calculated formula: C26 H20 O10
• SMILES: o1c2c(OC)c(OC)c3[C@H]4[C@@H](C(=O)Oc3c2cc1)[C@H]1C(=O)Oc2c([C@@H]41)c(OC)c(OC)c1occc21
• Title of publication: A pimpinellin monomer and dimer isolated from the roots of <i>Esenbeckia grandiflora</i>
• Authors of publication: Oliveira, P. E. S. de; Conserva, L.M.; De Simone, C.A.; Pereira, M.A.; Malta, V.R.S.; Imbroisi, D.O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o900 - o902
• a: 9.205 ± 0.002 Å
• b: 14.285 ± 0.004 Å
• c: 17.978 ± 0.005 Å
• α: 84 ± 0.01°
• β: 83.28 ± 0.01°
• γ: 77.66 ± 0.01°
• Cell volume: 2285.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1934
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes