Information card for entry 1513346

Structure parameters

• Formula: C47 H32 Cl2 N4
• Calculated formula: C47 H32 Cl2 N4
• SMILES: ClCCl.n1c(c(n2c1c1c(c3ccccc3cc1)c1c(cccc1)C12N=C(C(=N1)c1ccccc1)c1ccccc1)c1ccccc1)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: 9.3295 ± 0.0016 Å
• b: 21.719 ± 0.004 Å
• c: 17.834 ± 0.003 Å
• α: 90°
• β: 98.47 ± 0.002°
• γ: 90°
• Cell volume: 3574.2 ± 1.1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No