Information card for entry 7211980

Structure parameters

• Formula: C32 H46 Cl2 N2 O2
• Calculated formula: C32 H46 Cl2 N2 O2
• SMILES: Clc1c(Cl)cc2nc3c(nc2c1)cc(OCCCCCCCCCC)c(OCCCCCCCCCC)c3
• Title of publication: Self-assembly of halogen substituted phenazines
• Authors of publication: Lee, Dong-Chan; Cao, Bin; Jang, Kyoungmi; Forster, Paul M.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 867
• a: 5.421 ± 0.002 Å
• b: 9.8 ± 0.004 Å
• c: 29.833 ± 0.013 Å
• α: 90.125 ± 0.006°
• β: 91.359 ± 0.006°
• γ: 97.34 ± 0.006°
• Cell volume: 1571.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7749 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No