Information card for entry 7236213

Structure parameters

• Formula: C24 H26 N6
• Calculated formula: C24 H26 N6
• Title of publication: Palladium catalyzed domino reaction of 1,4-disubstituted 1,2,3-triazoles via double C‒H functionalization: one-pot synthesis of triazolo[1,5-f]phenanthridines
• Authors of publication: Kumar, Avnish; Shinde, Sundar S.; Tiwari, Dharmendra Kumar; Sridhar, Balasubramanian; Likhar, Pravin R.
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 49
• Pages of publication: 43638
• a: 7.619 ± 0.002 Å
• b: 9.692 ± 0.003 Å
• c: 15.884 ± 0.005 Å
• α: 75.952 ± 0.005°
• β: 79.091 ± 0.005°
• γ: 71.433 ± 0.005°
• Cell volume: 1070.6 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1166
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2623
• Weighted residual factors for all reflections included in the refinement: 0.2933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No