Information card for entry 4505629

Structure parameters

• Formula: C29 H26.33 Cl3.67 N4 O9
• Calculated formula: C29 H26.33 Cl3.67 N4 O9
• Title of publication: Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides.
• Authors of publication: Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T.
• Journal of publication: ACS combinatorial science
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 218 - 223
• a: 7.7789 ± 0.0008 Å
• b: 13.1511 ± 0.0013 Å
• c: 16.1282 ± 0.0016 Å
• α: 76.669 ± 0.001°
• β: 84.6 ± 0.001°
• γ: 77.944 ± 0.001°
• Cell volume: 1568.2 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No