Information card for entry 1513349

Structure parameters

• Formula: C46 H30 N4
• Calculated formula: C46 H30 N4
• SMILES: c12c3c(ccc4c3cccc4)C3(N=C(C(=N3)c3ccccc3)c3ccccc3)n3c(c(c4ccccc4)nc3c1cccc2)c1ccccc1
• 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: 9.72 ± 0.004 Å
• b: 11.606 ± 0.005 Å
• c: 15.241 ± 0.006 Å
• α: 82.64 ± 0.005°
• β: 87.985 ± 0.005°
• γ: 75.216 ± 0.005°
• Cell volume: 1648.7 ± 1.2 ų
• Cell temperature: 183 K
• Ambient diffraction temperature: 183 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: 0.079
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No