Information card for entry 2013317

Structure parameters

• Common name: Bis(6-chloro-2-furyl-4-chromanone-3-yloxy)propane
• Chemical name: 3,3'-Propylenedioxybis[6-chloro-2-(2-furyl)flavanone]
• Formula: C29 H18 Cl2 O8
• Calculated formula: C29 H18 Cl2 O8
• SMILES: Clc1cc2c(=O)c(OCCCOc3c(=O)c4cc(Cl)ccc4oc3c3occc3)c(oc2cc1)c1occc1
• Title of publication: 3,3'-[<i>o</i>-Phenylenebis(methyleneoxy)]bis(6-chloroflavone) and 3,3'-propylenedioxybis[6-chloro-2-(2-furyl)-4<i>H</i>-1-benzopyran-4-one]
• Authors of publication: Thinagar, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Gupta, S. C.; Merazig, H.; Bouacida, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o181 - o183
• a: 15.0485 ± 0.0002 Å
• b: 7.6144 ± 0.0001 Å
• c: 20.789 ± 0.0002 Å
• α: 90°
• β: 100.784 ± 0.001°
• γ: 90°
• Cell volume: 2340.04 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No