Information card for entry 4129428

Structure parameters

• Formula: C94 H70 N8
• Calculated formula: C94 H70 N8
• SMILES: c12c3nc(c4ccccc4)c(n3C3(N=C(c4ccccc4)C(=N3)c3ccccc3)c3cc4c5c6nc(c7ccccc7)c(n6C6(c(cc2CCc3c5)c(c1)CC4)N=C(c1ccccc1)C(=N6)c1ccccc1)c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Stepwise Two-Photon-Gated Photochemical Reaction in Photochromic [2.2]Paracyclophane-Bridged Bis(imidazole dimer).
• Authors of publication: Mutoh, Katsuya; Nakagawa, Yuki; Sakamoto, Akira; Kobayashi, Yoichi; Abe, Jiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 17
• Pages of publication: 5674 - 5677
• a: 9.305 ± 0.005 Å
• b: 14.062 ± 0.007 Å
• c: 14.402 ± 0.008 Å
• α: 69.949 ± 0.006°
• β: 85.065 ± 0.007°
• γ: 86.902 ± 0.007°
• Cell volume: 1763.1 ± 1.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No