Information card for entry 2239350

Structure parameters

• Chemical name: 2,8,15,18,21,24,31,37,44,47,50,53-Dodecaoxaheptacyclo[52.4.0.0^4,35^.0^6,33^.0^9,14^.0^25,30^.0^38,43^]octapentaconta-1(54),4,6(33),9(14),10,12,25(30),26,28,34,38(43),39,41,55,57-pentadecaene dichloromethane disolvate
• Formula: C48 H54 Cl4 O12
• Calculated formula: C48 H54 Cl4 O12
• SMILES: C1OCCOCCOc2ccccc2OCc2c(COc3c(OC1)cccc3)cc1COc3ccccc3OCCOCCOCCOc3c(OCc1c2)cccc3.ClCCl.ClCCl
• Title of publication: 2,8,15,18,21,24,31,37,44,47,50,53-Dodecaoxaheptacyclo[52.4.0.0^4,35^.0^6,33^.0^9,14^.0^25,30^.0^38,43^]octapentaconta-1(54),4,6(33),9(14),10,12,25(30),26,28,34,38(43),39,41,55,57-pentadecaene dichloromethane disolvate
• Authors of publication: Yun, Ji Ye; Ahn, Sung Wan; Kim, Dong Hwan; Sim, Wonbo; Lee, Jai Young
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o558
• a: 23.0916 ± 0.0011 Å
• b: 23.952 ± 0.0011 Å
• c: 8.6426 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4780.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes