Information card for entry 1551373

Structure parameters

• Chemical name: 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 H88.0008 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: 19.3322 ± 0.0008 Å
• b: 19.3322 ± 0.0008 Å
• c: 28.9191 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9360 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0641
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No