Information card for entry 1513347

Structure parameters

• Formula: C48 H33 N5
• Calculated formula: C48 H33 N5
• SMILES: c1(ccccc1)C1=NC2(C3(c4c(c5c2cccc5)c2ccccc2cc4)N=C(c2ccccc2)C(=N3)c2ccccc2)N=C1c1ccccc1.N#CC
• 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: 9.512 ± 0.006 Å
• b: 11.533 ± 0.007 Å
• c: 16.99 ± 0.01 Å
• α: 96.062 ± 0.006°
• β: 94.541 ± 0.006°
• γ: 104.431 ± 0.006°
• Cell volume: 1784.1 ± 1.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0446
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No