Information card for entry 1503999

Structure parameters

• Formula: C78 H108 O6 Se6
• Calculated formula: C78 H108 O6 Se6
• Title of publication: Homoselenacalix[n]arenes.
• Authors of publication: Thomas, Joice; Maes, Wouter; Robeyns, Koen; Ovaere, Margriet; Van Meervelt, Luc; Smet, Mario; Dehaen, Wim
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 3040 - 3043
• a: 9.9877 ± 0.0005 Å
• b: 12.0647 ± 0.0007 Å
• c: 15.8791 ± 0.0008 Å
• α: 83.135 ± 0.004°
• β: 88.746 ± 0.003°
• γ: 87.532 ± 0.004°
• Cell volume: 1897.66 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0654
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No