Information card for entry 7226746

Structure parameters

• Chemical name: AP/DB18C6 cocrystal
• Formula: C30 H40 Cl N O13
• Calculated formula: C30 H40 Cl N O13
• Title of publication: Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties
• Authors of publication: Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 43
• Pages of publication: 8487
• a: 12.6348 ± 0.0002 Å
• b: 12.918 ± 0.0002 Å
• c: 20.7752 ± 0.0003 Å
• α: 90°
• β: 107.36 ± 0.0017°
• γ: 90°
• Cell volume: 3236.39 ± 0.09 ų
• Cell temperature: 294.39 ± 0.1 K
• Ambient diffraction temperature: 294.39 ± 0.1 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: 0.0894
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.248
• Weighted residual factors for all reflections included in the refinement: 0.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No