Information card for entry 4121453

Structure parameters

• Formula: C46 H34 N4
• Calculated formula: C46 H34 N4
• SMILES: n12c(c3c4ccc(c3)CCc3cc(c(cc3)CC4)C31N=C(N=C3c1ccccc1)c1ccccc1)c(nc2c1ccccc1)c1ccccc1
• Title of publication: Enhancing the versatility and functionality of fast photochromic bridged imidazole dimers by flipping imidazole rings.
• Authors of publication: Shima, Kentaro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 10
• Pages of publication: 3796 - 3799
• a: 10.5501 ± 0.0007 Å
• b: 10.8464 ± 0.0008 Å
• c: 14.8158 ± 0.001 Å
• α: 97.7821 ± 0.0009°
• β: 96.6675 ± 0.0009°
• γ: 101.584 ± 0.0008°
• Cell volume: 1627.5 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0448
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No