Information card for entry 7132228

Structure parameters

• Formula: C38 H28 N2
• Calculated formula: C38 H28 N2
• SMILES: N(=C(c1ccccc1)c1ccccc1)c1ccc(c2ccc(N=C(c3ccccc3)c3ccccc3)cc2)cc1
• Title of publication: Substituted Benzophenone Imines for COF Synthesis via Formal Transimination
• Authors of publication: Sprachmann, Josefine; Grabicki, Niklas; Möckel, Anna; Maltitz, Jeremy; del Refugio Monroy Gómez, José; Smales, Glen J.; Dumele, Oliver
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 9.546 ± 0.0018 Å
• b: 15.907 ± 0.003 Å
• c: 18.545 ± 0.004 Å
• α: 88.246 ± 0.004°
• β: 81.362 ± 0.004°
• γ: 89.566 ± 0.004°
• Cell volume: 2782.8 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 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: 0.3014
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No