Information card for entry 1545380

Structure parameters

• Chemical name: <i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide
• Formula: C24 H18 N2 O
• Calculated formula: C24 H18 N2 O
• SMILES: O=C(NCC#CC#CN(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide
• Authors of publication: Kawashima, Takuya; Okuno, Tsunehisa
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170277
• a: 12.486 ± 0.007 Å
• b: 9.738 ± 0.005 Å
• c: 16.089 ± 0.009 Å
• α: 90°
• β: 109.518 ± 0.006°
• γ: 90°
• Cell volume: 1843.8 ± 1.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0892
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes