Information card for entry 7219159

Structure parameters

• Formula: C18 H26 N4 O10
• Calculated formula: C18 H26 N4 O10
• SMILES: n1c(C(=O)OC)cccc1C(=O)NCCNC(=O)c1nc(C(=O)OC)ccc1.O.O.O.O
• 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: 6.886 ± 0.007 Å
• b: 19.68 ± 0.02 Å
• c: 16.336 ± 0.019 Å
• α: 90°
• β: 100.08 ± 0.02°
• γ: 90°
• Cell volume: 2180 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No