Information card for entry 7218939

Structure parameters

• Formula: C34 H22
• Calculated formula: C34 H22
• SMILES: C1(c2ccccc2c2ccccc12)=C(c1cccc2ccccc12)c1cccc2ccccc12
• Title of publication: Efficient Green-Red Piezofluorochromism of Bisanthracene-Modified Dibenzofulvene
• Authors of publication: Zhang, Guo-Feng; Aldred, Matthew; Chen, Ze-Qiang; Chen, Tao; Meng, Xiang-Gao; Zhu, Ming-Qiang
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 12.5099 ± 0.0018 Å
• b: 13.0134 ± 0.0019 Å
• c: 14.188 ± 0.002 Å
• α: 90°
• β: 99.235 ± 0.002°
• γ: 90°
• Cell volume: 2279.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No