Information card for entry 2013316

Structure parameters

• Common name: Bis(6-chloroflavanone-3-yloxy)-o-xylene
• Chemical name: 3,3'-[o-Phenylenebis(methyleneoxy)]bis(6-chloro-2-phenylflavanone)
• Formula: C38 H24 Cl2 O6
• Calculated formula: C38 H24 Cl2 O6
• SMILES: Clc1ccc2c(c1)c(=O)c(c(o2)c1ccccc1)OCc1ccccc1COc1c(oc2c(c1=O)cc(cc2)Cl)c1ccccc1
• 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: 13.236 ± 0.001 Å
• b: 10.799 ± 0.004 Å
• c: 21.775 ± 0.004 Å
• α: 90°
• β: 91.393 ± 0.003°
• γ: 90°
• Cell volume: 3111.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1929
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes