Information card for entry 7203312

Structure parameters

• Common name: 2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone
• Chemical name: 2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone
• Formula: C20 H13 Cl3 N6 O3.5
• Calculated formula: C20 H12 Cl3 N6 O3.5
• Title of publication: Self-assembled organic tubular host for van der Waals guest inclusion
• Authors of publication: Saha, Binoy K.; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 440
• a: 6.2589 ± 0.0005 Å
• b: 10.1316 ± 0.0008 Å
• c: 16.8663 ± 0.0013 Å
• α: 86.024 ± 0.001°
• β: 87.527 ± 0.001°
• γ: 88.201 ± 0.001°
• Cell volume: 1065.54 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No