Information card for entry 2226412

Structure parameters

• Chemical name: (1<i>R</i>,6<i>R</i>,13<i>R</i>,18<i>R</i>)-(<i>Z</i>,<i>Z</i>)- 1,18-Bis[(4<i>R</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,16-dimethylene- 8,20-diazadispiro[5.6.5.6]tetracosa-7,19-diene
• Formula: C34 H54 N2 O4
• Calculated formula: C34 H54 N2 O4
• SMILES: C1CC(=C)C[C@H]([C@]21CCCC/N=C/[C@]1(CCCC/N=C/2)CCC(=C)C[C@H]1[C@@H]1COC(C)(C)O1)[C@@H]1COC(C)(C)O1
• Title of publication: (1<i>R</i>,6<i>R</i>,13<i>R</i>,18<i>R</i>)-(<i>Z</i>,<i>Z</i>)-1,18-Bis[(4<i>R</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,16-dimethylene-8,20-diazadispiro[5.6.5.6]tetracosa-7,19-diene
• Authors of publication: Guéret, Stéphanie M.; Boyd, Peter D. W.; Brimble, Margaret A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1778 - o1779
• a: 6.871 ± 0.0001 Å
• b: 10.1701 ± 0.0002 Å
• c: 11.7947 ± 0.0002 Å
• α: 79.143 ± 0.001°
• β: 88.043 ± 0.001°
• γ: 83.855 ± 0.001°
• Cell volume: 804.71 ± 0.02 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes