Information card for entry 7207686

Structure parameters

• Formula: C52 H34 N4 O2
• Calculated formula: C52 H34 N4 O2
• SMILES: O1C(=NC(=N\C(=O)c2ccccc2)/c2ccc(cc2)c2c3c(c4ccc(C5=NC1(c1ccccc1)C(=N5)c1ccccc1)cc4)cccc3ccc2)c1ccccc1
• 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: 10.462 ± 0.009 Å
• b: 10.806 ± 0.009 Å
• c: 17.637 ± 0.015 Å
• α: 86.158 ± 0.011°
• β: 74.173 ± 0.013°
• γ: 73.868 ± 0.012°
• Cell volume: 1843 ± 3 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: 0.1479
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2496
• Weighted residual factors for all reflections included in the refinement: 0.274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No