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Information card for entry 4026470
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Coordinates | 4026470.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H25 N O4 |
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Calculated formula | C19 H25 N O4 |
SMILES | C12(CCC(CC1)CC)C(C(=O)N2c1ccc(cc1)OC)OC(=O)C |
Title of publication | Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams |
Authors of publication | Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 5999 - 6006 |
a | 14.822 ± 0.005 Å |
b | 7.99 ± 0.003 Å |
c | 15.408 ± 0.005 Å |
α | 90° |
β | 92.48 ± 0.005° |
γ | 90° |
Cell volume | 1823 ± 1.1 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.1565 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for significantly intense reflections | 0.202 |
Weighted residual factors for all reflections included in the refinement | 0.2473 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.854 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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