Information card for entry 2010627

Structure parameters

• Formula: C21 H20 O8
• Calculated formula: C21 H20 O8
• SMILES: c12[C@@H](c3cc(OC)c(O)c(OC)c3)[C@@]3(O)C(=O)OC[C@@H]3Cc1cc1OCOc1c2
• Title of publication: 2β-Hydroxy-4'-demethyldesoxypodophyllotoxin
• Authors of publication: Du Boulay, Douglas; Shaari, Khozirah; Skelton, Brian W.; Waterman, Peter G.; White, Allan H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 199 - 200
• a: 7.854 ± 0.001 Å
• b: 9.384 ± 0.001 Å
• c: 13.23 ± 0.002 Å
• α: 101.563 ± 0.002°
• β: 103.699 ± 0.002°
• γ: 90.184 ± 0.002°
• Cell volume: 926.8 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No