Information card for entry 1544823

Structure parameters

• Chemical name: succinimide-piv
• Formula: C15 H14 N2 O2
• Calculated formula: C15 H14 N2 O2
• SMILES: c1ccc2cccnc2c1N1C(=O)C(CC1=O)(C)C
• Title of publication: Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.
• Authors of publication: Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 2431 - 2435
• a: 8.73 ± 0.005 Å
• b: 13.396 ± 0.005 Å
• c: 11.372 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.968 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1301 ± 1.1 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: 0.1086
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No