Information card for entry 4128590

Structure parameters

• Formula: C34 H44 N2
• Calculated formula: C34 H44 N2
• SMILES: N1(C(C)(CC(C1n1c2c(c3c1cccc3)cccc2)(CC)CC)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.
• Authors of publication: Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 30
• Pages of publication: 12055 - 12063
• a: 9.3881 ± 0.0004 Å
• b: 9.6798 ± 0.0005 Å
• c: 15.74 ± 0.0012 Å
• α: 104.169 ± 0.005°
• β: 90.296 ± 0.005°
• γ: 98.022 ± 0.005°
• Cell volume: 1372.13 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0552
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No