Information card for entry 4029257

Structure parameters

• Formula: C182 H94 N14 O4 S2
• Calculated formula: C182 H96 N14 O4 S2
• Title of publication: Phenothiazine-bridged cyclic porphyrin dimers as high-affinity hosts for fullerenes and linear array of c60 in self-assembled porphyrin nanotube.
• Authors of publication: Sakaguchi, Ken-Ichi; Kamimura, Takuya; Uno, Hidemitsu; Mori, Shigeki; Ozako, Shuwa; Nobukuni, Hirofumi; Ishida, Masatoshi; Tani, Fumito
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 2980 - 2992
• a: 14.794 ± 0.019 Å
• b: 32.47 ± 0.05 Å
• c: 17.79 ± 0.03 Å
• α: 90°
• β: 100.281 ± 0.016°
• γ: 90°
• Cell volume: 8408 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1729
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2156
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71041 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No