Information card for entry 1507833

Structure parameters

• Formula: C31 H50 N6 O5
• Calculated formula: C31 H50 N6 O5
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.n12c(nc(c1)CNc1cc(N(=O)=O)ccc1N)cccc2.[O-]C(=O)O
• Title of publication: Reusable amine-based structural motifs for green house gas (CO2) fixation.
• Authors of publication: Dalapati, Sasanka; Jana, Sankar; Saha, Rajat; Alam, Md Akhtarul; Guchhait, Nikhil
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3244 - 3247
• a: 10.213 ± 0.005 Å
• b: 12.195 ± 0.005 Å
• c: 14.857 ± 0.005 Å
• α: 112.128 ± 0.005°
• β: 108.309 ± 0.005°
• γ: 90.296 ± 0.005°
• Cell volume: 1611.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1263
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No