Information card for entry 4032241

Structure parameters

• Chemical name: 7-benzyl-2,3-diphenyl-7H-imidazo[2,1-a]pyrrolo[3,2-c]isoquinoline
• Formula: C32 H24 N3 O0.5
• Calculated formula: C32 H24 N3 O0.5
• SMILES: O.n12c3c(c(nc3c3c(c1n(cc2)Cc1ccccc1)cccc3)c1ccccc1)c1ccccc1
• Title of publication: NHC as the Guiding Factor in a Copper-Catalyzed Intramolecular C Arylation of Pyrrolylimidazolium Salts: Synthesis of Luminescent Heterotetracyclic Frameworks.
• Authors of publication: Tomashenko, Olesya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 616 - 623
• a: 13.6688 ± 0.0004 Å
• b: 21.5451 ± 0.0007 Å
• c: 16.0285 ± 0.0003 Å
• α: 90°
• β: 90.831 ± 0.002°
• γ: 90°
• Cell volume: 4719.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No