Information card for entry 4001963

Structure parameters

• Formula: C69 H48 Cl6 N2 O8
• Calculated formula: C69 H48 Cl6 N2 O8
• SMILES: N1(CCCN2C(=O)c3c(c4c5cccc6c5c(ccc6)c4c(c3C2=O)c2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)c2c(c3c4cccc5c4c(ccc5)c3c(c2C1=O)c1ccc(OC)cc1)c1ccc(OC)cc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties
• Authors of publication: Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 1944
• a: 13.507 ± 0.004 Å
• b: 14.759 ± 0.005 Å
• c: 15.313 ± 0.005 Å
• α: 110.149 ± 0.007°
• β: 90.272 ± 0.004°
• γ: 91.206 ± 0.004°
• Cell volume: 2865 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No