Information card for entry 2238299

Structure parameters

• Chemical name: (<i>E</i>)-2-Methoxy-9-(2-methoxy-9<i>H</i>-xanthen-9-ylidene)-9<i>H</i>-xanthene
• Formula: C28 H20 O4
• Calculated formula: C28 H20 O4
• SMILES: COc1ccc2c(c1)/C(=C1\c3ccccc3Oc3c1cc(OC)cc3)c1c(O2)cccc1
• Title of publication: (<i>E</i>)-2-Methoxy-9-(2-methoxy-9<i>H</i>-xanthen-9-ylidene)-9<i>H</i>-xanthene
• Authors of publication: Tian, Xiang-Yu; Song, Qin-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1167
• a: 8.5699 ± 0.0007 Å
• b: 7.52 ± 0.0006 Å
• c: 16.6101 ± 0.0018 Å
• α: 90°
• β: 102.682 ± 0.007°
• γ: 90°
• Cell volume: 1044.33 ± 0.17 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes