Information card for entry 4038341

Structure parameters

• Formula: C23 H16 N6 O
• Calculated formula: C23 H16 N6 O
• Title of publication: 2H-bis-1,2,3-triazolo-isoquinoline. Design, synthesis and photophysical study.
• Authors of publication: Tsyrenova, Biligma; Khrustalev, Victor N.; Nenajdenko, Valentine Georgievich
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.4118 ± 0.0012 Å
• b: 10.1482 ± 0.0014 Å
• c: 11.4542 ± 0.0015 Å
• α: 112.346 ± 0.003°
• β: 101.577 ± 0.003°
• γ: 106.514 ± 0.003°
• Cell volume: 909.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No