Information card for entry 7237714

Structure parameters

• Formula: C34 H22 N4 S
• Calculated formula: C34 H22 N4 S
• Title of publication: Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism
• Authors of publication: Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 4988
• a: 11.6896 ± 0.00007 Å
• b: 15.16518 ± 0.0001 Å
• c: 16.54421 ± 0.0001 Å
• α: 106.715 ± 0.0006°
• β: 97.5581 ± 0.0005°
• γ: 110.427 ± 0.0006°
• Cell volume: 2542.92 ± 0.03 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No