Information card for entry 1508146

Structure parameters

• Common name: OP8NO2
• Formula: C71 H74.5 N5.5 O20
• Calculated formula: C71 H74.5 N5.5 O20
• SMILES: c1(cc(c(cc1c1cc(c(cc1c1cc(c(cc1c1cc(c(cc1c1cc(c(cc1c1cc(c(cc1c1cc(c(cc1c1cc(c(cc1N(=O)=O)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC)N(=O)=O.N#CC.N#CC.N#CC.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: 26.465 ± 0.0005 Å
• b: 13.3084 ± 0.0002 Å
• c: 20.9193 ± 0.0004 Å
• α: 90°
• β: 116.126 ± 0.0007°
• γ: 90°
• Cell volume: 6615.1 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No