Information card for entry 2237928

Structure parameters

• Chemical name: 2-[(5'-Chloro-1,1':3',1''-terphenyl-4'-yl)imino]acenaphthylen-1(2<i>H</i>)-one
• Formula: C30 H18 Cl N O
• Calculated formula: C30 H18 Cl N O
• SMILES: Clc1cc(cc(c1/N=C1\c2cccc3c2c(C1=O)ccc3)c1ccccc1)c1ccccc1
• Title of publication: 2-[(5'-Chloro-1,1':3',1''-terphenyl-4'-yl)imino]acenaphthylen-1(2<i>H</i>)-one
• Authors of publication: Du, Zhengyin; Che, Fushou; Yan, Yufei; Liu, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o624 - o625
• a: 12.4929 ± 0.0006 Å
• b: 10.8699 ± 0.0007 Å
• c: 16.0758 ± 0.0008 Å
• α: 90°
• β: 91.864 ± 0.005°
• γ: 90°
• Cell volume: 2181.9 ± 0.2 ų
• Cell temperature: 99.95 ± 0.17 K
• Ambient diffraction temperature: 99.95 ± 0.17 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes