Information card for entry 2311180

Structure parameters

• Chemical name: 2-(3,5-Dioxo-4-azatricyclo[5.2.1.0^2,6^]dec-8-en-4-yl)acetic acid
• Formula: C11 H11 N O4
• Calculated formula: C11 H11 N O4
• SMILES: OC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2C=C1
• Title of publication: 2-(3,5-Dioxo-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-en-4-yl)acetic acid.
• Authors of publication: Akkurt, Mehmet; Jarrahpour, Aliasghar; Shirvani, Pouria; Tahir, Muhammad Nawaz
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 9
• Pages of publication: o1404
• a: 6.506 ± 0.0003 Å
• b: 11.8417 ± 0.0004 Å
• c: 14.1794 ± 0.0005 Å
• α: 104.385 ± 0.002°
• β: 97.905 ± 0.002°
• γ: 99.549 ± 0.002°
• Cell volume: 1025.07 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No