Information card for entry 7101240

Structure parameters

• Formula: C19 H12 O3
• Calculated formula: C19 H12 O3
• SMILES: O1C(=O)C(=C2C(=O)CC(=C12)c1ccccc1)c1ccccc1
• Title of publication: A new class of laser dyes, 2-oxa-bicyclo[3.3.0]octa-4,8-diene-3,6-diones, with unity fluorescence yield
• Authors of publication: Wang, Chao-Yu; Yeh, Yu-Shan; Li, Elise Y.; Liu, Yi-Hong; Peng, Shiuh-Ming; Liu, Shiuh-Tzung; Chou, Pi-Tai
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 25
• Pages of publication: 2693 - 2695
• a: 11.7937 ± 0.0004 Å
• b: 12.9224 ± 0.0005 Å
• c: 18.4121 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2806.06 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1092
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No