Information card for entry 1503195

Structure parameters

• Formula: C24 H20 O8
• Calculated formula: C24 H20 O8
• SMILES: O=C1c2ccccc2O[C@@]2([C@H]1[C@H]1C(=O)c3c(O[C@@]21C(=O)OCC)cccc3)C(=O)OCC.O=C1c2ccccc2O[C@]2([C@@H]1[C@@H]1C(=O)c3c(O[C@]21C(=O)OCC)cccc3)C(=O)OCC
• Title of publication: Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.
• Authors of publication: Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4435 - 4437
• a: 11.4827 ± 0.0009 Å
• b: 11.0568 ± 0.0009 Å
• c: 16.4519 ± 0.0013 Å
• α: 90°
• β: 106.924 ± 0.001°
• γ: 90°
• Cell volume: 1998.3 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No