Information card for entry 2243207

Structure parameters

• Chemical name: (<i>E</i>)-3-(3-Hydroxybenzylidene)-2-phenylchroman-4-one
• Formula: C22 H16 O3
• Calculated formula: C22 H16 O3
• SMILES: O1c2c(cccc2)C(=O)C(=C\c2cc(O)ccc2)\C1c1ccccc1
• Title of publication: Crystal structures of (<i>E</i>)-3-(4-hydroxybenzylidene)chroman-4-one and (<i>E</i>)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
• Authors of publication: Suchojad, Kamil; Dołega, Anna; Adamus-Grabicka, Angelika; Budzisz, Elżbieta; Małecka, Magdalena
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• Pages of publication: 1907 - 1913
• a: 5.3969 ± 0.0006 Å
• b: 11.6576 ± 0.0016 Å
• c: 12.944 ± 0.002 Å
• α: 91.992 ± 0.012°
• β: 98.282 ± 0.01°
• γ: 97.568 ± 0.01°
• Cell volume: 797.66 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1371
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes