Information card for entry 7207685

Structure parameters

• Formula: C56 H42 N4 O4
• Calculated formula: C56 H42 N4 O4
• SMILES: c1c2c3c4c(c5ccc(C6=N[C@](C(=N6)c6ccccc6)(c6ccccc6)OO[C@]6(c7ccccc7)C(=NC(=N6)c(cc2)c1)c1ccccc1)cc5)cccc4ccc3.CC(=O)OCC
• Title of publication: A peroxide-bridged imidazole dimer formed from a photochromic naphthalene-bridged imidazole dimer.
• Authors of publication: Hatano, Sayaka; Abe, Jiro
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 5855 - 5860
• a: 10.544 ± 0.003 Å
• b: 15.291 ± 0.004 Å
• c: 15.387 ± 0.004 Å
• α: 64.648 ± 0.003°
• β: 74.579 ± 0.003°
• γ: 83.447 ± 0.003°
• Cell volume: 2161.2 ± 1 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: 0.0612
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No