Information card for entry 7214777

Structure parameters

• Formula: C18 H24 N2 O5
• Calculated formula: C18 H24 N2 O5
• SMILES: O=C(C(=O)NCC(=O)OCCCCCC)c1ccccc1NC(=O)C
• 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: 5.0331 ± 0.0003 Å
• b: 33.007 ± 0.002 Å
• c: 5.5043 ± 0.0003 Å
• α: 90°
• β: 99.24 ± 0.004°
• γ: 90°
• Cell volume: 902.55 ± 0.09 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.352
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No