Information card for entry 7219157

Structure parameters

• Formula: C21 H28 N4 O8
• Calculated formula: C21 H28 N4 O8
• Title of publication: Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains
• Authors of publication: Bera, Santu; Maity, Sibaprasad; Haldar, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1569
• a: 18.863 ± 0.016 Å
• b: 4.534 ± 0.004 Å
• c: 14.98 ± 0.012 Å
• α: 90°
• β: 113.37 ± 0.02°
• γ: 90°
• Cell volume: 1176.1 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No