Information card for entry 1551376

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: C162 H84 N24 O18
• Calculated formula: C162 H84 N24 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: 19.5973 ± 0.0005 Å
• b: 19.5973 ± 0.0005 Å
• c: 27.8613 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9266.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.1104
• Weighted residual factors for significantly intense reflections: 0.2835
• Weighted residual factors for all reflections included in the refinement: 0.3059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No