Information card for entry 7104362

Structure parameters

• Formula: C18 H12 O4
• Calculated formula: C18 H12 O4
• SMILES: O1C2C(C3C2C(=O)c2c(cccc2)O3)C(=O)c2ccccc12
• Title of publication: Photodimerization of chromone.
• Authors of publication: Sakamoto, Masami; Kanehiro, Masayuki; Mino, Takashi; Fujita, Tsutomu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 2379 - 2380
• a: 14.8002 ± 0.001 Å
• b: 8.28 ± 0.0006 Å
• c: 22.283 ± 0.0019 Å
• α: 90°
• β: 103.771 ± 0.001°
• γ: 90°
• Cell volume: 2652.2 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No