Information card for entry 4003114

Structure parameters

• Common name: 2 in manuscript
• Formula: C66 H62 O8
• Calculated formula: C66 H62 O8
• SMILES: C12c3cc(c(cc3C(c3c1cc(c(c3)c1ccc(cc1)OC)c1ccc(cc1)OC)c1c2cc(c(c1)c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC.OCC.OCC
• Title of publication: Triptycene-Based Porous Metal-Assisted Salphen Organic Frameworks: Influence of the Metal Ions on Formation and Gas Sorption
• Authors of publication: Reinhard, Dennis; Zhang, Wen-Shan; Vaynzof, Yana; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2781
• a: 9.8567 ± 0.0002 Å
• b: 16.4658 ± 0.0004 Å
• c: 17.9517 ± 0.0004 Å
• α: 66.907 ± 0.002°
• β: 79.373 ± 0.002°
• γ: 81.276 ± 0.002°
• Cell volume: 2623.94 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No