Information card for entry 7238624

Structure parameters

• Formula: C14 H16 N4 O3
• Calculated formula: C14 H16 N4 O3
• Title of publication: Dotting the i's in three-component Biginelli-like condensations using 3-amino-1,2,4-triazole as a 1,3-binucleophile
• Authors of publication: Sedash, Yuriy V.; Gorobets, Nikolay Yu.; Chebanov, Valentin A.; Konovalova, Irina S.; Shishkin, Oleg V.; Desenko, Sergey M.
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 17
• Pages of publication: 6719
• a: 5.637 ± 0.0004 Å
• b: 10.2308 ± 0.0007 Å
• c: 24.765 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1428.22 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No