Information card for entry 2208498

Structure parameters

• Chemical name: 1-Isopropyl-6,6,8a-trimethyl-1,3a,5,6,7,8a-hexahydro-3H- 1-benzofuro[2,3-b]pyrrole-2,4-dione
• Formula: C16 H23 N O3
• Calculated formula: C16 H23 N O3
• SMILES: O1[C@@]2(N(C(=O)C[C@@H]2C2=C1CC(CC2=O)(C)C)C(C)C)C.O1[C@]2(N(C(=O)C[C@H]2C2=C1CC(CC2=O)(C)C)C(C)C)C
• Title of publication: 1-Isopropyl-6,6,8a-trimethyl-1,3a,5,6,7,8a-hexahydro-3<i>H</i>-1-benzofuro[2,3-<i>b</i>]pyrrole-2,4-dione
• Authors of publication: Narasegowda, R. N.; Yathirajan, H. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1328 - o1329
• a: 8.9725 ± 0.0003 Å
• b: 10.2472 ± 0.0003 Å
• c: 10.4372 ± 0.0003 Å
• α: 101.733 ± 0.002°
• β: 109.29 ± 0.001°
• γ: 115.765 ± 0.001°
• Cell volume: 744.67 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes