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Information card for entry 2229215
Preview
Coordinates | 2229215.cif |
---|---|
Structure factors | 2229215.hkl |
Original IUCr paper | HTML |
Chemical name | <i>rac</i>-Diethyl 9-hydroxy-9-methyl-7-phenyl-1,4-diazaspiro[4.5]decane-6,8-dicarboxylate |
---|---|
Formula | C21 H30 N2 O5 |
Calculated formula | C21 H30 N2 O5 |
SMILES | CCOC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)OCC)C2(C[C@]1(C)O)NCCN2.CCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OCC)C2(C[C@@]1(C)O)NCCN2 |
Title of publication | <i>rac</i>-Diethyl 9-hydroxy-9-methyl-7-phenyl-1,4-diazaspiro[4.5]decane-6,8-dicarboxylate |
Authors of publication | Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.; Rahimova, Gunel M.; Allahverdiyev, Mirza A. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 2 |
Pages of publication | o291 |
a | 9.414 ± 0.0017 Å |
b | 10.7606 ± 0.0019 Å |
c | 10.7874 ± 0.0019 Å |
α | 103 ± 0.004° |
β | 97.413 ± 0.004° |
γ | 97.736 ± 0.004° |
Cell volume | 1040.6 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1328 |
Residual factor for significantly intense reflections | 0.0675 |
Weighted residual factors for significantly intense reflections | 0.1489 |
Weighted residual factors for all reflections included in the refinement | 0.1754 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2229215.html
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Users of the data should acknowledge the original authors of the
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