Information card for entry 7131554

Structure parameters

• Chemical name: triclinic
• Formula: C18 H14 N2
• Calculated formula: C18 H14 N2
• 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: 6.5843 ± 0.0003 Å
• b: 9.6121 ± 0.0004 Å
• c: 20.5866 ± 0.0008 Å
• α: 90°
• β: 93.744 ± 0.001°
• γ: 90°
• Cell volume: 1300.12 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No