Information card for entry 1507832

Structure parameters

• Formula: C29 H49 N5 O5
• Calculated formula: C29 H49 N5 O5
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.N(c1c(N)ccc(c1)N(=O)=O)Cc1ncccc1.[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: 10.034 ± 0.002 Å
• b: 13.027 ± 0.003 Å
• c: 14.264 ± 0.005 Å
• α: 116.27 ± 0.004°
• β: 104.228 ± 0.004°
• γ: 97.627 ± 0.003°
• Cell volume: 1556.8 ± 0.7 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: 0.1119
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No