Information card for entry 2212324

Structure parameters

• Chemical name: 1,3,5-Trichloro-2,4,6-tripyrrol-1-ylbenzene
• Formula: C18 H12 Cl3 N3
• Calculated formula: C18 H12 Cl3 N3
• SMILES: Clc1c(n2cccc2)c(Cl)c(n2cccc2)c(Cl)c1n1cccc1
• Title of publication: 1,3,5-Trichloro-2,4,6-tripyrrol-1-ylbenzene
• Authors of publication: Zhang, Tao; Davila, Alfonso; McLaughlin, Mark L.; Watkins, Steven F.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o604 - o605
• a: 11.167 ± 0.003 Å
• b: 11.534 ± 0.003 Å
• c: 15.799 ± 0.003 Å
• α: 86.02 ± 0.02°
• β: 69.58 ± 0.02°
• γ: 65.19 ± 0.02°
• Cell volume: 1723.9 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.057
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes