Information card for entry 7156624

Structure parameters

• Formula: C140 H120 O20
• Calculated formula: C140 H120 O20
• Title of publication: Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by ¹H-NMR: aromatic influence and chiral alcohol absolute configuration determination.
• Authors of publication: Intakaew, Neeranuth; Rithchumpon, Puracheth; Prommin, Chanatkran; Yimklan, Saranphong; Kungwan, Nawee; Thavornyutikarn, Praput; Meepowpan, Puttinan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 541 - 554
• a: 13.391 ± 0.017 Å
• b: 10.239 ± 0.013 Å
• c: 21.4 ± 0.03 Å
• α: 90°
• β: 106.18 ± 0.03°
• γ: 90°
• Cell volume: 2818 ± 6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No