Information card for entry 1519318

Structure parameters

• Formula: C32 H32 N8 O8
• Calculated formula: C32 H32 N8 O8
• SMILES: O=N(=O)c1c(N2CCN(CCN(CCN(CC2)c2c(N(=O)=O)cccc2)c2c(N(=O)=O)cccc2)c2c(N(=O)=O)cccc2)cccc1
• Title of publication: C32H32N8O8
• Authors of publication: Fallis, Ian A.; Gelbrich, Thomas; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 833
• a: 7.9266 ± 0.0004 Å
• b: 9.6531 ± 0.0005 Å
• c: 10.3243 ± 0.0006 Å
• α: 79.14 ± 0.02°
• β: 79.79 ± 0.02°
• γ: 80.26 ± 0.04°
• Cell volume: 755.97 ± 0.12 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: 0.0772
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No