Information card for entry 7213816

Structure parameters

• Formula: C9 H9 N3 O4
• Calculated formula: C9 H9 N3 O4
• SMILES: c1(C(=O)NC(=O)N)cccc(C(=O)OC)n1
• Title of publication: Fabrication of self-assembled peptidomimetic microspheres and hydrogen peroxide responsive release of nicotinamide
• Authors of publication: Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 2527
• a: 7.1357 ± 0.0005 Å
• b: 20.7857 ± 0.0012 Å
• c: 7.6013 ± 0.0004 Å
• α: 90°
• β: 116.33 ± 0.003°
• γ: 90°
• Cell volume: 1010.46 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No