Information card for entry 2238159

Structure parameters

• Chemical name: (3<i>R</i>*,6<i>R</i>*,4'<i>S</i>*,8'<i>R</i>*,3''<i>R</i>*,6''<i>R</i>*)-3,3''-Diisopropyl-6,6''-dimethyl-2',6'-diphenyldispiro[cyclohexane-1,4'-(3,7-dioxa-2,6-diazabicyclo[3.3.0]octane)-8',1''-cyclohexane]-2,2''-dione
• Formula: C34 H44 N2 O4
• Calculated formula: C34 H44 N2 O4
• SMILES: CC([C@H]1CC[C@H]([C@@]2(C1=O)ON([C@@H]1[C@H]2N(O[C@@]21[C@H](C)CC[C@@H](C2=O)C(C)C)c1ccccc1)c1ccccc1)C)C
• Title of publication: (3<i>R</i>*,6<i>R</i>*,4'<i>S</i>*,8'<i>R</i>*,3''<i>R</i>*,6''<i>R</i>*)-3,3''-Diisopropyl-6,6''-dimethyl-2',6'-diphenyldispiro[cyclohexane-1,4'-(3,7-dioxa-2,6-diazabicyclo[3.3.0]octane)-8',1''-cyclohexane]-2,2''-dione
• Authors of publication: Ansari, Abdeslam; Majidi, Lhou; Fihi, Rachid; Daran, Jean-Claude; Azrour, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1162 - o1163
• a: 9.5037 ± 0.0006 Å
• b: 12.4162 ± 0.001 Å
• c: 24.8982 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2938 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes