Information card for entry 7221821

Structure parameters

• Chemical name: TPAANPCHO
• Formula: C39 H27 N O
• Calculated formula: C38.996 H27 N O
• Title of publication: High-contrast and reversible mechanochromic luminescence of a D-π-A compound with a twisted molecular conformation
• Authors of publication: Wei, Jinbei; Liang, Baoyan; Cheng, Xiao; Zhang, Zuolun; Zhang, Hongyu; Wang, Yue
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.7432 ± 0.0015 Å
• b: 9.579 ± 0.0019 Å
• c: 21.157 ± 0.004 Å
• α: 95.62 ± 0.03°
• β: 99.49 ± 0.03°
• γ: 108.71 ± 0.03°
• Cell volume: 1446.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1014
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No