Information card for entry 7154860

Structure parameters

• Chemical name: 3,3'-carbonylbis(4<i>H</i>-chromen-4-one)
• Formula: C19 H10 O5
• Calculated formula: C19 H10 O5
• SMILES: O=C(c1coc2ccccc2c1=O)c1coc2ccccc2c1=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: 16.6528 ± 0.0007 Å
• b: 6.6881 ± 0.0003 Å
• c: 13.5348 ± 0.0006 Å
• α: 90°
• β: 113.809 ± 0.002°
• γ: 90°
• Cell volume: 1379.16 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No