Information card for entry 7122072

Structure parameters

• Formula: C14 H14 N4 O
• Calculated formula: C14 H14 N4 O
• Title of publication: Facile synthesis and efficient electrochemiluminescence of a readily accessible pyridopyrimidine.
• Authors of publication: Zhang, Ruizhong; Tong, Feng; Yang, Liuqing; Adsetts, Jonathan Ralph; Yan, Tianhao; Wang, Ruiyao; Ding, Zhifeng; Wang, Hong-Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 71
• Pages of publication: 9897 - 9900
• a: 7.753 ± 0.002 Å
• b: 14.532 ± 0.004 Å
• c: 11.144 ± 0.003 Å
• α: 90°
• β: 98.574 ± 0.006°
• γ: 90°
• Cell volume: 1241.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No