Information card for entry 7238611

Structure parameters

• Formula: C21 H40 Cl2 N2 O16
• Calculated formula: C21 H40 Cl2 N2 O16
• 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: 8.3389 ± 0.0004 Å
• b: 14.6212 ± 0.0007 Å
• c: 12.1621 ± 0.0006 Å
• α: 90°
• β: 104.483 ± 0.001°
• γ: 90°
• Cell volume: 1435.74 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No