Information card for entry 2229215

Structure parameters

• 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 ų
• 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