Information card for entry 1551375

Structure parameters

• Chemical name: poly(1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane)
• Formula: C168 H88 N26 O18
• Calculated formula: C168.001 H88.0158 N26.0004 O18
• Title of publication: Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction
• Authors of publication: Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter
• Journal of publication: Nature Chemistry
• Year of publication: 2014
• Journal volume: 6
• Pages of publication: 779 - 784
• a: 19.4976 ± 0.0006 Å
• b: 19.4976 ± 0.0006 Å
• c: 29.0508 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9564.3 ± 0.7 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2715
• Weighted residual factors for all reflections included in the refinement: 0.3055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No