Information card for entry 1503196

Structure parameters

• Formula: C26 H24 O8
• Calculated formula: C26 H24 O8
• SMILES: C12(C(C(=O)c3ccccc3O2)C2(C1C(=O)c1ccccc1O2)C(=O)OC(C)C)C(=O)OC(C)C
• 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: 6.5748 ± 0.0007 Å
• b: 8.8652 ± 0.001 Å
• c: 10.7627 ± 0.0012 Å
• α: 69.163 ± 0.001°
• β: 82.406 ± 0.001°
• γ: 82.35 ± 0.001°
• Cell volume: 578.64 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No