Information card for entry 2019998

Structure parameters

• Chemical name: (2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-[4-(prop-1-en-2-yl)phenyl]prop-2-en-1-one
• Formula: C18 H14 Cl2 O
• Calculated formula: C18 H14 Cl2 O
• Title of publication: A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors
• Authors of publication: Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• a: 13.4314 ± 0.0004 Å
• b: 8.2405 ± 0.0004 Å
• c: 29.9252 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3312.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes