Information card for entry 2233938

Structure parameters

• Chemical name: 6,7-Bis(bromomethyl)-2,11,18,21,24,27- hexaoxatetracyclo[26.4.0.0^4,9^.0^12,17^]dotriaconta- 1(28),4,6,8,12(17),13,15,29,31-nonaene dichloromethane monosolvate
• Formula: C29 H32 Br2 Cl2 O6
• Calculated formula: C29 H32 Br2 Cl2 O6
• SMILES: BrCc1cc2COc3ccccc3OCCOCCOCCOc3ccccc3OCc2cc1CBr.C(Cl)Cl
• Title of publication: 6,7-Bis(bromomethyl)-2,11,18,21,24,27-hexaoxatetracyclo[26.4.0.0^4,9^.0^12,17^]dotriaconta-1(28),4,6,8,12(17),13,15,29,31-nonaene dichloromethane monosolvate
• Authors of publication: Beack, Hyun Jin; Yoo, Seung Mee; Kim, Jae Eun; Sim, Wonbo; Lee, Jai Young
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o720
• a: 9.133 ± 0.003 Å
• b: 12.191 ± 0.004 Å
• c: 15.038 ± 0.006 Å
• α: 66.116 ± 0.007°
• β: 85.263 ± 0.009°
• γ: 77.08 ± 0.006°
• Cell volume: 1492.1 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1842
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes