Information card for entry 7238613

Structure parameters

• Formula: C81 H118 Cl6 N6 O50
• Calculated formula: C81 H107 Cl6 N6 O50
• 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: 11.9802 ± 0.0008 Å
• b: 12.7041 ± 0.0009 Å
• c: 34.277 ± 0.002 Å
• α: 85.19 ± 0.001°
• β: 89.215 ± 0.001°
• γ: 89.297 ± 0.001°
• Cell volume: 5197.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No