Information card for entry 7113340

Structure parameters

• Common name: 2,3,6,7,11,12,15,16,20,21,24,25,29,30,33,34-hexadecaethyl- 9,18,27, 36-tetraphenyl(32)octaphyrin-(1.0.1.0.1.0.1.0)
• Chemical name: 2,3,6,7,11,12,15,16,20,21,24,25,29,30,33,34-hexadecaethyl-9,18,27, 36-tetraphenyl[32]octaphyrin-(1.0.1.0.1.0.1.0)
• Formula: C100 H124 N8 O2
• Calculated formula: C100 H124 N8 O2
• Title of publication: Direct determination of absolute configuration of carboxylic acids by cyclooctapyrrole.
• Authors of publication: Lintuluoto, Juha M.; Nakayama, Kana; Setsune, Jun-ichiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2006
• Journal issue: 33
• Pages of publication: 3492 - 3494
• a: 20.381 ± 0.002 Å
• b: 19.5758 ± 0.0018 Å
• c: 23.321 ± 0.002 Å
• α: 90°
• β: 108.829 ± 0.002°
• γ: 90°
• Cell volume: 8806.6 ± 1.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No