Information card for entry 7114770

Structure parameters

• Formula: C24 H27 N3 O2
• Calculated formula: C24 H27 N3 O2
• SMILES: N12CCC[C@H]1CO[C@@]1(/C2=N/c2ccc(cc2)C)CCC(=O)N1c1ccc(cc1)C
• Title of publication: One-pot ruthenium catalyzed synthesis of spiro[pyrrolidin-2-one] derivatives by a [2 + 2 + 1] cycloaddition of ketimines, carbon monoxide and ethylene
• Authors of publication: Göbel, Angela; Imhof, Wolfgang
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 593
• a: 8.235 ± 0.0004 Å
• b: 11.1009 ± 0.0006 Å
• c: 23.0091 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2103.4 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for all reflections: 0.1741
• Weighted residual factors for significantly intense reflections: 0.1507
• Goodness-of-fit parameter for all reflections: 0.987
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No