Information card for entry 7102789

Structure parameters

• Formula: C37 H36 N2 O5
• Calculated formula: C37 H36 N2 O5
• SMILES: O=C1N(CC[C@@]1(C(=O)[C@@]1(CCN(C1=O)Cc1ccc(OC)cc1)c1ccccc1)c1ccccc1)Cc1ccc(OC)cc1
• Title of publication: Diastereoselective synthesis and spin-dependent photodecarbonylation of di(3-phenyl-2-pyrrolidinon-3-yl)ketones: synthesis of nonadjacent and adjacent stereogenic quaternary centers
• Authors of publication: Resendiz, Marino J. E.; Natarajan, Arunkumar; Garcia-Garibay, Miguel A.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 193 - 195
• a: 15.4881 ± 0.0018 Å
• b: 10.802 ± 0.0012 Å
• c: 19.017 ± 0.002 Å
• α: 90°
• β: 104.87 ± 0.001°
• γ: 90°
• Cell volume: 3075 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No