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Information card for entry 1558286
Preview
Coordinates | 1558286.cif |
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Original paper (by DOI) | HTML |
Common name | Methylene-bridged Isoindolo[2,1-a][3,1]benzoxazinone |
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Formula | C23 H27 N O2 |
Calculated formula | C23 H27 N O2 |
SMILES | O1C[C@H]2[C@H]3C=C[C@@H]([C@H]2N2C(=O)[C@@H]4CCCC[C@H]4[C@]12c1ccc(cc1)C)C3.O1C[C@@H]2[C@@H]3C=C[C@H]([C@@H]2N2C(=O)[C@H]4CCCC[C@@H]4[C@@]12c1ccc(cc1)C)C3 |
Title of publication | X-Ray Structure of a Second Epimer of a Partially Saturated Methylene-bridged Isoindolo[2,1-a][3,1]benzoxazinone |
Authors of publication | Sillanpaa, Reijo; Stajer, Geza; Pihlaja, Kalevi |
Journal of publication | Acta Chemica Scandinavica |
Year of publication | 1994 |
Journal volume | 48 |
Pages of publication | 84 - 87 |
a | 9.612 ± 0.002 Å |
b | 16.801 ± 0.004 Å |
c | 11.549 ± 0.002 Å |
α | 90° |
β | 94.06 ± 0.01° |
γ | 90° |
Cell volume | 1860.4 ± 0.7 Å3 |
Ambient diffraction temperature | 296 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 significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
253090 (current) | 2020-06-11 | cif/ Adding structures of 1558286 via cif-deposit CGI script. |
1558286.cif |
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