Information card for entry 4503990

Structure parameters

• Formula: C16 H34 N8 O8
• Calculated formula: C16 H34 N8 O8
• Title of publication: Water Tape Assembled in 1,10-Bis(2-pyrazinylcarbonyl)-1,4,7,10-tetraazadecane via H-Bonding and π−π Stacking
• Authors of publication: Shi, Xue-Fang; Zhang, Wen-Qin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 595
• a: 4.6039 ± 0.0009 Å
• b: 6.86 ± 0.0014 Å
• c: 38.115 ± 0.008 Å
• α: 90°
• β: 93.143 ± 0.004°
• γ: 90°
• Cell volume: 1202 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1023
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No