Information card for entry 1516448

Structure parameters

• Common name: compound 16
• Chemical name: 3,5-bis(4-chloro-6-pyrimidoxy)toluene
• Formula: C15 H10 Cl2 N4 O2
• Calculated formula: C15 H10 Cl2 N4 O2
• Title of publication: Selective Synthesis of Poly(m-phenylene oxides) over Oxacalixarenes
• Authors of publication: Wackerly, Jay Wm.; Meyer, Joseph M.; Crannell, W. Christian; King, Sarah B.; Katz, Jeffrey L.
• Journal of publication: Macromolecules
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 8181
• a: 16.219 ± 0.002 Å
• b: 14.7254 ± 0.0019 Å
• c: 6.6795 ± 0.0009 Å
• α: 90°
• β: 106.412 ± 0.002°
• γ: 90°
• Cell volume: 1530.3 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No