Information card for entry 7104363

Structure parameters

• Formula: C18 H12 O4
• Calculated formula: C18 H12 O4
• SMILES: C12C(C(=O)c3ccccc3O2)C2C1C(=O)c1ccccc1O2
• 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: 10.5496 ± 0.0013 Å
• b: 8.5832 ± 0.001 Å
• c: 14.7098 ± 0.0018 Å
• α: 90°
• β: 98.247 ± 0.002°
• γ: 90°
• Cell volume: 1318.2 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No