Information card for entry 2312317

Structure parameters

• Chemical name: TPPM_BnOH
• Formula: C48.5 H35.5 N4 O0.5
• Calculated formula: C48.5 H35.5 N4 O0.5
• Title of publication: 3D electron diffraction analysis of a novel, mechanochemically synthesized supramolecular organic framework based on tetrakis-4-(4-pyridyl)phenylmethane.
• Authors of publication: Marchetti, Danilo; Pedrini, Alessandro; Massera, Chiara; Diame, Moussa Faye; Jandl, Christian; Steinfeld, Gunther; Gemmi, Mauro
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 6
• Pages of publication: 432 - 436
• a: 27.946 ± 0.007 Å
• b: 7.0236 ± 0.0005 Å
• c: 21.61 ± 0.003 Å
• α: 90°
• β: 119.031 ± 0.014°
• γ: 90°
• Cell volume: 3708.7 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.2031
• Residual factor for significantly intense reflections: 0.1442
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for significantly intense reflections: 0
• Goodness-of-fit parameter for all reflections included in the refinement: 3.9081
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0285 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes