Information card for entry 2012375

Structure parameters

• Common name: tetrabenzo-24-crown-8 tris(1,2-dichloroethane)
• Chemical name: 2,5,12,15,22,25,32,35-Octaoxopentacyclo[34.4.0.0^6,11^. 0^16,21^.0^26,31^]tetraconta-6,8,10,16,18,20,26,28,30,36,38,40-dodecaene tris(1,2-dichloroethane) solvate
• Formula: C38 H44 Cl6 O8
• Calculated formula: C38 H44 Cl6 O8
• Title of publication: Tetrabenzo-24-crown-8 tris(1,2-dichloroethane) solvate
• Authors of publication: Bryan, Jeffrey C.; Levitskaia, Tatiana G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1457 - 1459
• a: 13.478 ± 0.002 Å
• b: 14.3841 ± 0.0018 Å
• c: 21.381 ± 0.002 Å
• α: 97.144 ± 0.01°
• β: 97.854 ± 0.01°
• γ: 103.405 ± 0.011°
• Cell volume: 3941.6 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes