Information card for entry 7132229

Structure parameters

• Common name: Benzidine(bisfluorenone imine)
• Chemical name: MAN-20
• Formula: C38 H24 N2
• Calculated formula: C38 H24 N2
• SMILES: N(c1ccc(c2ccc(N=C3c4c(c5c3cccc5)cccc4)cc2)cc1)=C1c2c(c3c1cccc3)cccc2
• 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: 17.0198 ± 0.0007 Å
• b: 10.765 ± 0.0005 Å
• c: 29.1185 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5335 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No