Information card for entry 7218070

Structure parameters

• Formula: C56 H60
• Calculated formula: C56 H60
• SMILES: CCCCC1(c2cc(C(=C(/c3cc4C(CCCC)(CCCC)c5c(cccc5)c4cc3)c3ccccc3)/c3ccccc3)ccc2c2c1cccc2)CCCC
• Title of publication: The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials
• Authors of publication: Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 526
• a: 11.1014 ± 0.0009 Å
• b: 11.6074 ± 0.0009 Å
• c: 17.9752 ± 0.0014 Å
• α: 101.916 ± 0.001°
• β: 105.051 ± 0.001°
• γ: 92.108 ± 0.001°
• Cell volume: 2178.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No