Information card for entry 7101813

Structure parameters

• Formula: C29 H49 N3 O4
• Calculated formula: C29 H49 N3 O4
• SMILES: N(C(=O)O[C@H]1CN(Cc2ccccc2)C[C@@H]1OC(=O)NCCCCCCCC)CCCCCCCC
• Title of publication: A new organogelator based on an enantiopure C2 symmetric pyrrolidine.
• Authors of publication: Cicchi, Stefano; Ghini, Giacomo; Lascialfari, Luisa; Brandi, Alberto; Betti, Francesca; Berti, Debora; Ferrati, Silvia; Baglioni, Piero
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 14
• Pages of publication: 1424 - 1426
• a: 5.02 ± 0.001 Å
• b: 16.571 ± 0.001 Å
• c: 18.4 ± 0.001 Å
• α: 90°
• β: 93.37 ± 0.002°
• γ: 90°
• Cell volume: 1528 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No