Information card for entry 7241505

Structure parameters

• Common name: work
• Formula: C15 H20 N4 O2
• Calculated formula: C15 H20 N4 O2
• Title of publication: Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism
• Authors of publication: Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 2
• Pages of publication: 317 - 323
• a: 17.2606 ± 0.0004 Å
• b: 10.9538 ± 0.0003 Å
• c: 8.1564 ± 0.0002 Å
• α: 90°
• β: 101.455 ± 0.001°
• γ: 90°
• Cell volume: 1511.41 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No