Information card for entry 4129427

Structure parameters

• Formula: C106 H94 N14 O4
• Calculated formula: C106 H94 N14 O4
• SMILES: O.O.n1c([nH]c(c1c1ccccc1)c1ccccc1)c1c2cc(c3nc(c([nH]3)c3ccccc3)c3ccccc3)c(c1)CCc1c(c3nc(c([nH]3)c3ccccc3)c3ccccc3)cc(CC2)c(c2nc(c3ccccc3)c([nH]2)c2ccccc2)c1.O.O.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1
• 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: 9.97 ± 0.007 Å
• b: 12.46 ± 0.009 Å
• c: 36.86 ± 0.03 Å
• α: 82.668 ± 0.01°
• β: 87.451 ± 0.009°
• γ: 73.233 ± 0.009°
• Cell volume: 4348 ± 6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No