Information card for entry 7238615

Structure parameters

• Formula: C42 H66 Cl4 N4 O25
• Calculated formula: C42 H64 Cl4 N4 O25
• Title of publication: Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry
• Authors of publication: Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 3920
• a: 17.19 ± 0.003 Å
• b: 16.795 ± 0.002 Å
• c: 18.068 ± 0.003 Å
• α: 90°
• β: 92.64 ± 0.002°
• γ: 90°
• Cell volume: 5210.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0863
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No