Information card for entry 7214780

Structure parameters

• Formula: C16 H21 Br N2 O3
• Calculated formula: C16 H21 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: 8.5713 ± 0.0011 Å
• b: 9.9041 ± 0.0011 Å
• c: 11.2296 ± 0.0014 Å
• α: 97.717 ± 0.004°
• β: 108.25 ± 0.004°
• γ: 101.874 ± 0.004°
• Cell volume: 865.48 ± 0.19 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: 0.0555
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No