Information card for entry 1502432

Structure parameters

• Formula: C57 H74 O11
• Calculated formula: C57 H74 O11
• SMILES: O(c1cc2c(OC)cc1Cc1c(OC)cc(c(OC)c1)Cc1c(OC)cc(c(OC)c1)Cc1c(OC)cc(c(OC)c1)Cc1c(OC)cc(c(OC)c1)C2)CCCCCCCCCC.O=C(C)C
• Title of publication: Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces.
• Authors of publication: Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 18
• Pages of publication: 4818 - 4821
• a: 36.409 ± 0.003 Å
• b: 11.5008 ± 0.0005 Å
• c: 12.1481 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5086.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2634
• Weighted residual factors for all reflections included in the refinement: 0.2921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No