Information card for entry 7131555

Structure parameters

• Chemical name: monoclinic
• Formula: C17 H18 N2
• Calculated formula: C17 H18 N2
• SMILES: n1(c2c(nc1)c1c(cc2)cccc1)C1CCCCC1
• Title of publication: An HFIP-assisted, cobalt-catalyzed three-component electrophilic C-H amination/cyclization/directing group removal cascade to naphtho[1,2-d]imidazoles.
• Authors of publication: Begam, Hasina Mamataj; Pradhan, Kangkan; Varalaxmi, Kasarla; Jana, Ranjan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 37
• Pages of publication: 5595 - 5598
• a: 13.2417 ± 0.0009 Å
• b: 12.7619 ± 0.0009 Å
• c: 7.809 ± 0.0005 Å
• α: 90°
• β: 99.428 ± 0.003°
• γ: 90°
• Cell volume: 1301.81 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No