Information card for entry 2222298

Structure parameters

• Chemical name: Di-<i>tert</i>-butyl 3,3'-(2,2'-bi-1<i>H</i>-imidazole-1,1'-diyl)dipropanoate
• Formula: C20 H30 N4 O4
• Calculated formula: C20 H30 N4 O4
• SMILES: CCCCOC(=O)CCn1ccnc1c1nccn1CCC(=O)OCCCC
• Title of publication: Di-<i>tert</i>-butyl 3,3'-(2,2'-bi-1<i>H</i>-imidazole-1,1'-diyl)dipropanoate
• Authors of publication: Wang, Ke; Li, Yue-Jiao; Zhang, Ting-Ting; Liang, Hong-Ze
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1577
• a: 7.0321 ± 0.0014 Å
• b: 17.484 ± 0.004 Å
• c: 8.9681 ± 0.0018 Å
• α: 90°
• β: 100.8 ± 0.03°
• γ: 90°
• Cell volume: 1083.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes