Information card for entry 1550962

Structure parameters

• Chemical name: (<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-9-Benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione
• Formula: C19 H18 N2 O4
• Calculated formula: C19 H18 N2 O4
• SMILES: O1[C@@]2(O[C@H](C(=O)N2Cc2ccccc2)c2ccccc2)CN(C1=O)C.O1[C@]2(O[C@@H](C(=O)N2Cc2ccccc2)c2ccccc2)CN(C1=O)C
• Title of publication: (<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-9-Benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione
• Authors of publication: Forsyth, Craig M.; Nazarian, Zohreh
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 4
• Pages of publication: x190520
• a: 11.0914 ± 0.0004 Å
• b: 13.6412 ± 0.0004 Å
• c: 11.9739 ± 0.0004 Å
• α: 90°
• β: 113.863 ± 0.004°
• γ: 90°
• Cell volume: 1656.78 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes