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Information card for entry 2008692
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Coordinates | 2008692.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (±)-(3'aα,4'β,6'aα)-1',3',3'a,6'a-Tetrahydro-5,5,N,N- tetramethyl-spiro[1,3-dioxane-2,2'(1'H)-pentalene]-4'- acetamide |
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Formula | C17 H27 N O3 |
Calculated formula | C17 H27 N O3 |
SMILES | O=C(N(C)C)C[C@H]1C=C[C@H]2[C@@H]1CC1(C2)OCC(CO1)(C)C.O=C(N(C)C)C[C@@H]1C=C[C@@H]2[C@H]1CC1(C2)OCC(CO1)(C)C |
Title of publication | (+/-)-(3'aα,4'α,6'aα)-3',3'a,4',6'a-Tetrahydro-5,5,<i>N</i>,<i>N</i>-tetramethylspiro[1,3-dioxane-2,2'(1'<i>H</i>)-pentalene]-4'-acetamide, a triclinic crystal structure with local monoclinic pseudosymmetry |
Authors of publication | Jan W. Bats; Öhlinger, Stefan H.; Mulzer, Johann |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 7 |
Pages of publication | 1158 - 1160 |
a | 9.485 ± 0.0013 Å |
b | 11.769 ± 0.002 Å |
c | 14.596 ± 0.002 Å |
α | 104.889 ± 0.012° |
β | 96.663 ± 0.012° |
γ | 90.451 ± 0.009° |
Cell volume | 1562.8 ± 0.4 Å3 |
Cell temperature | 135 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 significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.052 |
Goodness-of-fit parameter for significantly intense reflections | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2008692.html
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