Information card for entry 2005211

Structure parameters

• Formula: C21 H17 N3 O5
• Calculated formula: C21 H17 N3 O5
• SMILES: O=CN(CCN1C(=O)c2c(C1=O)cccc2)CCN1C(=O)c2c(C1=O)cccc2
• Title of publication: Formylation <i>versus</i> Alkylation of Secondary Amines in DMF
• Authors of publication: Barrett, D. M. Y.; Kahwa, I. A.; Williams, D. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2069 - 2071
• a: 14.062 ± 0.004 Å
• b: 12.046 ± 0.002 Å
• c: 11.697 ± 0.002 Å
• α: 90°
• β: 102.63 ± 0.02°
• γ: 90°
• Cell volume: 1933.4 ± 0.7 ų
• Cell temperature: 291 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0539
• Goodness-of-fit parameter for significantly intense reflections: 2.47
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No