Information card for entry 7108003

Structure parameters

• Formula: C36 H50 N4 O10
• Calculated formula: C36 H50 N4 O10
• SMILES: c1(c(cccc1)c1c(cccc1)OCCCNC(=O)C(=O)N[C@H](CC(C)C)C(=O)OC)OCCCNC(=O)C(=O)N[C@H](CC(C)C)C(=O)OC.c1(c(cccc1)c1c(cccc1)OCCCNC(=O)C(=O)N[C@@H](CC(C)C)C(=O)OC)OCCCNC(=O)C(=O)N[C@@H](CC(C)C)C(=O)OC
• Title of publication: Intermolecular central to axial chirality transfer in the self-assembled biphenyl containing amino acid-oxalamide gelators
• Authors of publication: Janja Makarevic; Zoran Stefanic; Lucija Horvat; Mladen Zinic
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7407
• a: 14.7898 ± 0.0017 Å
• b: 33.377 ± 0.003 Å
• c: 10.1506 ± 0.0012 Å
• α: 90°
• β: 123.924 ± 0.017°
• γ: 90°
• Cell volume: 4157.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No