Information card for entry 7229023

Structure parameters

• Formula: C38 H38 N4 O6
• Calculated formula: C38 H38 N4 O6
• Title of publication: Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module
• Authors of publication: Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 67
• Pages of publication: 42180
• a: 9.885 ± 0.005 Å
• b: 13.056 ± 0.006 Å
• c: 15.4 ± 0.008 Å
• α: 70.424 ± 0.008°
• β: 80.392 ± 0.009°
• γ: 68.547 ± 0.008°
• Cell volume: 1740.6 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1275
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No