Information card for entry 2011783

Structure parameters

• Formula: C26 H26 Br2 O5
• Calculated formula: C26 H26 Br2 O5
• SMILES: BrCc1cc2COc3ccccc3OCCOCCOc3c(OCc2cc1CBr)cccc3
• Title of publication: 6,7-Bis(bromomethyl)-2,11,18,21,24-pentaoxatetracyclo[23.4.0.0^4,9^.0^12,17^]nonacosa-1(25),4(9),5,7,12(17),13,15,26,28-nonaene
• Authors of publication: Sim, Wonbo; Lee, Jai Young; Kim, Jong Seung; Kim, Jin-Gyu; Suh, Il-Hwan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 293 - 294
• a: 8.141 ± 0.002 Å
• b: 13.7976 ± 0.0016 Å
• c: 21.852 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2454.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1832
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes