Information card for entry 1513348

Structure parameters

• Formula: C46 H30 N4
• Calculated formula: C46 H30 N4
• SMILES: c1(ccccc1)C1C(c2ccccc2)=NC(=C2C3(c4c(c5n3c(c3ccccc3)c(c3ccccc3)n5)cccc4)c3c(C=C2)cccc3)N=1
• Title of publication: Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers.
• Authors of publication: Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2013
• Journal volume: 118
• Journal issue: 1
• Pages of publication: 134
• a: 10.145 ± 0.008 Å
• b: 25.68 ± 0.02 Å
• c: 12.867 ± 0.01 Å
• α: 90°
• β: 94.357 ± 0.009°
• γ: 90°
• Cell volume: 3342 ± 5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No