Information card for entry 7215795

Structure parameters

• Formula: C11 H19 Cl N2 O7
• Calculated formula: C11 H19 Cl N2 O7
• Title of publication: Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies
• Authors of publication: Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 5319
• a: 8.127 ± 0.0016 Å
• b: 10.346 ± 0.002 Å
• c: 10.659 ± 0.002 Å
• α: 62.22 ± 0.03°
• β: 83.15 ± 0.03°
• γ: 79.28 ± 0.03°
• Cell volume: 778.5 ± 0.3 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: 0.2074
• Residual factor for significantly intense reflections: 0.1638
• Weighted residual factors for significantly intense reflections: 0.4369
• Weighted residual factors for all reflections included in the refinement: 0.4776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No