Information card for entry 1508147

Structure parameters

• Common name: OP8NO2+[SbF6-]
• Formula: C69 H71.5 F6 N4.5 O20 Sb
• Calculated formula: C69 H71.5 F6 N4.5 O20 Sb
• SMILES: O(c1cc(N(=O)=O)c(cc1OC)c1c(cc(OC)c(OC)c1)c1c(cc(OC)c(OC)c1)c1c(cc(OC)c(OC)c1)c1c(cc(OC)c(OC)c1)c1c(cc(OC)c(OC)c1)c1c(cc(OC)c(OC)c1)c1c(N(=O)=O)cc(OC)c(OC)c1)C.[Sb](F)(F)(F)(F)(F)[F-].N#CC.C(#N)C.N#CC
• Title of publication: Redox-responsive molecular helices with highly condensed π-clouds.
• Authors of publication: Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 68 - 73
• a: 12.6264 ± 0.0001 Å
• b: 22.3733 ± 0.0002 Å
• c: 25.1262 ± 0.0003 Å
• α: 90°
• β: 102.392 ± 0.0005°
• γ: 90°
• Cell volume: 6932.65 ± 0.12 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No