Information card for entry 7131910

Structure parameters

• Formula: C24 H21 N O3
• Calculated formula: C24 H21 N O3
• SMILES: O1c2c(C(=O)C1C1c3c(N(c4c1cccc4)CC)cccc3)cccc2OC
• Title of publication: Electrochemical C(sp³)-C(sp³) cross-dehydrogenative coupling: enabling access to 9-substituted fluorescent acridanes.
• Authors of publication: Roy, Shantonu; Karmakar, Sudip; Mondal, Imtiaj; Naskar, Koushik; Sarkar, Writhabrata; Deb, Indubhusan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 59
• Pages of publication: 9074 - 9077
• a: 13.5269 ± 0.0009 Å
• b: 9.3422 ± 0.0006 Å
• c: 15.1324 ± 0.001 Å
• α: 90°
• β: 105.484 ± 0.002°
• γ: 90°
• Cell volume: 1842.9 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No