Information card for entry 7101242

Structure parameters

• Common name: 4,6-Bis-methylcarbamonyl-nonanedioic acid bis-methylamide
• Formula: C15 H28 N4 O4
• Calculated formula: C15 H28 N4 O4
• SMILES: O=C(NC)CC[C@@H](C(=O)NC)C[C@@H](C(=O)NC)CCC(=O)NC
• Title of publication: Isotactic N-Acrylamide Oligomers Assume self-assembled Sheet Structure: First Unequivocal Evidence From Crystal Structures
• Authors of publication: Sanjayan Gangadhar; R. G. Gonnade; Amol Kendhale; P. R. Rajamohanan
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 26
• a: 4.8971 ± 0.0008 Å
• b: 7.7453 ± 0.0013 Å
• c: 23.813 ± 0.004 Å
• α: 85.109 ± 0.003°
• β: 88.701 ± 0.003°
• γ: 76.425 ± 0.003°
• Cell volume: 874.8 ± 0.3 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: 0.0555
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No