Information card for entry 4135112

Structure parameters

• Common name: 2
• Formula: C17 H16 N4 O2
• Calculated formula: C17 H16 N4 O2
• Title of publication: Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale.
• Authors of publication: Faghani, Abbas; Gholami, Mohammad Fardin; Trunk, Matthias; Müller, Johannes; Pachfule, Pradip; Vogl, Sarah; Donskyi, Ievgen; Nickl, Philip; Shao, Jingjing; Huang, Michael R. S.; Unger, Wolfgang E. S.; Arenal, Raul; Koch, Christoph T.; Paulus, Beate; Rabe, Jürgen P; Thomas, Arne; Haag, Rainer; Adeli, Mohsen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 28.055 ± 0.0013 Å
• b: 7.0673 ± 0.0006 Å
• c: 7.8774 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1561.88 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No