Information card for entry 8106617

Structure parameters

• Formula: C15 H15 N3 O3 Se
• Calculated formula: C15 H15 N3 O3 Se
• Title of publication: Crystal structure of 3-(2-amino-1,3-selenazol-4-yl)-2H-chromen-2-one – dimethylformamide (1/1), C15H15N3O3Se
• Authors of publication: Alias, Nurul Zawani; Ahmad, Wan Yaacob Wan; Hassan, Nurul Izzaty; Yamin, Bohari M.; Ngatiman, Mohammad Fadzlee
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 607 - 609
• a: 9.5686 ± 0.0007 Å
• b: 12.3795 ± 0.0009 Å
• c: 14.7854 ± 0.0011 Å
• α: 93.844 ± 0.002°
• β: 106.344 ± 0.002°
• γ: 110.816 ± 0.002°
• Cell volume: 1543.4 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No