Information card for entry 7202476

Structure parameters

• Formula: C60 H96 N12 O18
• Calculated formula: C60.03 H96 N12 O18
• Title of publication: Formation of a discrete helical assembly and packing pattern through charged hydrogen bonds and van der Waals interactions
• Authors of publication: Lee, Ho Yong; Kim, Hae-Jo; Lee, Kyoung Jae; Lah, Myoung Soo; Hong, Jong-In
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 78
• a: 27.5164 ± 0.0019 Å
• b: 27.5164 ± 0.0019 Å
• c: 14.685 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9629.1 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1472
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No