Information card for entry 2007084

Structure parameters

• Chemical name: 1,6-Bis(3,5-dioxopiperazine-1-yl)hexane
• Formula: C14 H22 N4 O4
• Calculated formula: C14 H22 N4 O4
• SMILES: O=C1CN(CCCCCCN2CC(=O)NC(=O)C2)CC(=O)N1
• Title of publication: Anticancer Agents. III. 4,4'-(Hexane-1,6-diyl)bis(piperazine-2,6-dione)
• Authors of publication: Liu, Q.; Zhang, S.-W.; Shao, M.-C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 439 - 440
• a: 10.756 ± 0.002 Å
• b: 7.069 ± 0.001 Å
• c: 10.16 ± 0.002 Å
• α: 90°
• β: 91.9 ± 0.03°
• γ: 90°
• Cell volume: 772.1 ± 0.2 ų
• Cell temperature: 295 ± 0.1 K
• Ambient diffraction temperature: 295 ± 0.1 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 all reflections: 0.087
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 0.62
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No