Information card for entry 1544275

Structure parameters

• Chemical name: (<i>Z</i>)-2-(4-{[(<i>E</i>)-2-Hydroxybenzylidene]amino}phenyl)-3-[4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl]acrylonitrile
• Formula: C32 H35 N3 O5
• Calculated formula: C32 H35 N3 O5
• SMILES: Oc1c(cccc1)/C=N/c1ccc(cc1)C(=C\c1ccc(N2CCOCCOCCOCCOCC2)cc1)\C#N
• Title of publication: (<i>Z</i>)-2-(4-{[(<i>E</i>)-2-Hydroxybenzylidene]amino}phenyl)-3-[4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl]acrylonitrile
• Authors of publication: Zhang, Xin; Wu, Zhi-Chao
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161598
• a: 9.938 ± 0.002 Å
• b: 10.085 ± 0.002 Å
• c: 14.23 ± 0.004 Å
• α: 80.194 ± 0.003°
• β: 86.588 ± 0.003°
• γ: 81.534 ± 0.003°
• Cell volume: 1389.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes