Information card for entry 4110784

Structure parameters

• Formula: C21 H17 N1.33
• Calculated formula: C21 H17 N1.33333
• Title of publication: Solid State Structural Evidence of Chloroform-Benzene-Chloroform Adduct Trapped in Hexaanthryl Octaaminocryptand Channels
• Authors of publication: P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9600 - 9601
• a: 15.2238 ± 0.0012 Å
• b: 15.2238 ± 0.0012 Å
• c: 26.683 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5355.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1593
• Residual factor for significantly intense reflections: 0.1042
• Weighted residual factors for significantly intense reflections: 0.2738
• Weighted residual factors for all reflections included in the refinement: 0.3069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No