Information card for entry 2222114

Structure parameters

• Chemical name: 11-(3-Chloro-2-hydroxypropoxy)-2,3,9-trimethoxychromeno[3,4-<i>b</i>]chromen- 12(6<i>H</i>)-one
• Formula: C22 H21 Cl O8
• Calculated formula: C22 H21 Cl O8
• SMILES: ClCC(COc1cc(OC)cc2c1c(=O)c1c(o2)COc2c1cc(OC)c(c2)OC)O
• Title of publication: 11-(3-Chloro-2-hydroxypropoxy)-2,3,9-trimethoxychromeno[3,4-<i>b</i>]chromen-12(6<i>H</i>)-one
• Authors of publication: Sangthong, Supranee; Teerawatananond, Thapong; Phurut, Chuttree; Ngamrojanavanich, Nattaya; Muangsin, Nongnuj
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1372
• a: 7.1534 ± 0.0004 Å
• b: 11.7904 ± 0.0006 Å
• c: 12.7661 ± 0.0007 Å
• α: 76.901 ± 0.003°
• β: 86.991 ± 0.003°
• γ: 74.455 ± 0.003°
• Cell volume: 1010.3 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.2679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes