Information card for entry 1546093

Structure parameters

• Common name: PC
• Formula: C15 H10 O2
• Calculated formula: C15 H10 O2
• SMILES: o1c(=O)ccc2c1cc(c1ccccc1)cc2
• Title of publication: Aggregation of an n‒π* Molecule Induces Fluorescence Turn-on
• Authors of publication: Jhun, Byung Hak; Yi, Seung Yeon; Jeong, Donghyun; Cho, Jaeheung; Park, Soo Young; You, Youngmin
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2017
• Journal volume: 121
• Journal issue: 21
• Pages of publication: 11907
• a: 24.2286 ± 0.0011 Å
• b: 5.6429 ± 0.0002 Å
• c: 7.6125 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1040.78 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No