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Information card for entry 4026468
Preview
Coordinates | 4026468.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H23 N O4 |
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Calculated formula | C18 H23 N O4 |
SMILES | C12(CCC(CC1)C)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 | 9.729 ± 0.001 Å |
b | 13.881 ± 0.002 Å |
c | 13.377 ± 0.001 Å |
α | 90° |
β | 104.05° |
γ | 90° |
Cell volume | 1752.5 ± 0.3 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1223 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1515 |
Weighted residual factors for all reflections included in the refinement | 0.1901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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