Information card for entry 7208581

Structure parameters

• Formula: C13 H16 N2 O4
• Calculated formula: C13 H16 N2 O4
• Title of publication: Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups
• Authors of publication: Kawai, Hidetoshi; Hosoda, Daisuke
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5717
• a: 18.328 ± 0.005 Å
• b: 6.5775 ± 0.0014 Å
• c: 22.617 ± 0.006 Å
• α: 90°
• β: 110.443 ± 0.004°
• γ: 90°
• Cell volume: 2554.8 ± 1.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No