Information card for entry 2242656

Structure parameters

• Chemical name: (<i>E</i>)-1-(Anthracen-9-yl)-3-[4-(dimethylamino)naphthalen-1-yl]prop-2-en-1-one
• Formula: C29 H23 N O
• Calculated formula: C29 H23 N O
• SMILES: O=C(c1c2ccccc2cc2ccccc12)/C=C/c1ccc(N(C)C)c2ccccc12
• Title of publication: Crystal structures, DFT studies and UV‒visible absorption spectra of two anthracenyl chalcone derivatives
• Authors of publication: Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1491 - 1496
• a: 12.6997 ± 0.0007 Å
• b: 11.8029 ± 0.0007 Å
• c: 18.3997 ± 0.0009 Å
• α: 90°
• β: 127.901 ± 0.003°
• γ: 90°
• Cell volume: 2176.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1431
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes