Information card for entry 7238614

Structure parameters

• Formula: C40 H68 Cl2 N4 O21
• Calculated formula: C40 H68 Cl2 N4 O21
• 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: 12.2134 ± 0.0007 Å
• b: 13.2564 ± 0.0008 Å
• c: 17.0677 ± 0.001 Å
• α: 75.025 ± 0.001°
• β: 71.73 ± 0.001°
• γ: 72.189 ± 0.001°
• Cell volume: 2457.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No