Information card for entry 2004932

Structure parameters

• Formula: C14 H24 N2 O4
• Calculated formula: C14 H24 N2 O4
• SMILES: CC(=O)N(C(=O)C)CCCCCCN(C(=O)C)C(=O)C
• Title of publication: Anti-Cancer Agents. I. <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraacetylhexamethylenediamine
• Authors of publication: Zhang, S.-W.; Liu, Q.; Wei, Y. G.; Shao, M.-C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1238 - 1239
• a: 8.978 ± 0.002 Å
• b: 8.689 ± 0.002 Å
• c: 10.702 ± 0.002 Å
• α: 90°
• β: 106.98 ± 0.03°
• γ: 90°
• Cell volume: 798.5 ± 0.3 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0534
• Goodness-of-fit parameter for significantly intense reflections: 0.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No