Information card for entry 7154861

Structure parameters

• Chemical name: 3,3'-carbonylbis(6-methoxy-4<i>H</i>-chromen-4-one)
• Formula: C21 H14 O7
• Calculated formula: C21 H14 O7
• SMILES: O=C(c1coc2ccc(OC)cc2c1=O)c1coc2ccc(OC)cc2c1=O
• Title of publication: Synthesis of 3,3'-carbonyl-bis(chromones) and their activity as mammalian alkaline phosphatase inhibitors.
• Authors of publication: Miliutina, Mariia; Ejaz, Syeda Abida; Iaroshenko, Viktor O.; Villinger, Alexander; Iqbal, Jamshed; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 495 - 502
• a: 6.9459 ± 0.0003 Å
• b: 8.6534 ± 0.0004 Å
• c: 14.8426 ± 0.0007 Å
• α: 74.281 ± 0.002°
• β: 81.211 ± 0.002°
• γ: 68.824 ± 0.002°
• Cell volume: 799.27 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No