Information card for entry 7214779

Structure parameters

• Formula: C19 H27 Br N2 O3
• Calculated formula: C19 H27 Br N2 O3
• Title of publication: Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths
• Authors of publication: Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7345
• a: 8.8992 ± 0.0012 Å
• b: 9.9071 ± 0.0017 Å
• c: 12.299 ± 0.002 Å
• α: 75.265 ± 0.007°
• β: 81.633 ± 0.007°
• γ: 76.227 ± 0.007°
• Cell volume: 1014.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No