Information card for entry 1556779

Structure parameters

• Formula: C18 H18 N4 O2
• Calculated formula: C18 H18 N4 O2
• SMILES: O=C(/C=C/c1ccncc1)NCCNC(=O)/C=C/c1ccncc1
• Title of publication: Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.
• Authors of publication: Garai, Mousumi; Biradha, Kumar
• Journal of publication: IUCrJ
• Year of publication: 2015
• Journal volume: 2
• Journal issue: Pt 5
• Pages of publication: 523 - 533
• a: 4.7967 ± 0.0015 Å
• b: 11.547 ± 0.004 Å
• c: 14.726 ± 0.005 Å
• α: 90°
• β: 96.451 ± 0.01°
• γ: 90°
• Cell volume: 810.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.223
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No