Information card for entry 2011120

Structure parameters

• Chemical name: 11,12,24,25-Tetrahydro-28,34-dimethoxy-3,6,16,19,31,37-hexamethyl- 1,21[1',3']:8,14[1",3"]-dibenzeno-10H,23H-tetrabenzo[f,h,o,z][1,5,10,14]- tetraoxacyclooctadecin]
• Formula: C50 H50 Cl Li O7
• Calculated formula: C50 H48 Cl Li O7
• Title of publication: The lithium chloride complex of the <i>anti</i> isomer of the bridged spherand C~50~H~48~O~6~
• Authors of publication: Helgeson, Roger C.; Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Deceased 7 May 1998
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 795 - 797
• a: 44.486 ± 0.005 Å
• b: 12.1755 ± 0.0013 Å
• c: 16.995 ± 0.002 Å
• α: 90°
• β: 108.958 ± 0.002°
• γ: 90°
• Cell volume: 8705.8 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes