Information card for entry 1519809

Structure parameters

• Formula: C22 H48 N8 O6
• Calculated formula: C22 H48 N8 O6
• SMILES: O=C(N)CCN1CCN(CCN(CCN(CCC(=O)N)CC1)CCC(=O)N)CCC(=O)N.OC.OC
• Title of publication: C20H40N8O4 . 2(CH4O)
• Authors of publication: Taylor, P. G.; Male, Louise; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 334
• a: 8.8971 ± 0.0004 Å
• b: 9.597 ± 0.0004 Å
• c: 9.8882 ± 0.0003 Å
• α: 64.918 ± 0.002°
• β: 81.546 ± 0.002°
• γ: 68.435 ± 0.002°
• Cell volume: 711.13 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No