Information card for entry 1519853

Structure parameters

• Formula: C46 H51 I6 N2
• Calculated formula: C46 H51 I6 N2
• SMILES: I[I-]I.II.Ic1ccccc1.N12N3c4ccc(cc4c4cc(cc(c34)c3c1c(cc(c3)C(C)(C)C)c1c2ccc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives
• Authors of publication: Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 4160
• a: 15.047 ± 0.003 Å
• b: 24.399 ± 0.005 Å
• c: 13.754 ± 0.003 Å
• α: 90°
• β: 108.9 ± 0.03°
• γ: 90°
• Cell volume: 4777.3 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No