Information card for entry 2205554

Structure parameters

• Common name: Succinimido 4-(N-maleimidomethyl)cyclohexanecarboxylate
• Chemical name: 2,5-dioxo-3-pyrrolidin-1-yl 4-[(2,5-dioxo-3-pyrrolin-1-yl)methyl]cyclohexanecarboxylate
• Formula: C16 H18 N2 O6
• Calculated formula: C16 H18 N2 O6
• SMILES: O=C1N(OC(=O)C2CCC(CC2)CN2C(=O)C=CC2=O)C(=O)CC1
• Title of publication: Succinimido 4-(<i>N</i>-maleimidomethyl)cyclohexanecarboxylate
• Authors of publication: Christopher L. Brown; Sarah J. Atkinson; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1203 - o1204
• a: 20.203 ± 0.005 Å
• b: 17.021 ± 0.006 Å
• c: 9.643 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3316 ± 1.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes