Information card for entry 1556180

Structure parameters

• Formula: C24 H19 N3 O3
• Calculated formula: C24 H19 N3 O3
• SMILES: O=C1N(c2c([C@@]31C(/C(=C\c1ccccc1)C(=O)[C@@H]3C)(C#N)C#N)cccc2)COC.O=C1N(c2c([C@]31C(/C(=C\c1ccccc1)C(=O)[C@H]3C)(C#N)C#N)cccc2)COC
• Title of publication: Asymmetric synthesis of druglike six-membered spirooxindoles through an amino enyne catalysis.
• Authors of publication: Ramachary, D. B.; Venkaiah, Chintalapudi; Madhavachary, R.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 3042 - 3045
• a: 9.0832 ± 0.0004 Å
• b: 10.4022 ± 0.0004 Å
• c: 11.9282 ± 0.0004 Å
• α: 69 ± 0.003°
• β: 81.227 ± 0.003°
• γ: 83.991 ± 0.003°
• Cell volume: 1038.34 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No