Information card for entry 7250785

Structure parameters

• Chemical name: (S)-BINOL-(S)-MIA
• Formula: C41 H32 Cl2 O5
• Calculated formula: C41 H32 Cl2 O5
• Title of publication: Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols via thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations
• Authors of publication: Sinthopweha, Wichai; Khamto, Nopawit; Rithchumpon, Puracheth; Meepowpan, Puttinan
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 28063 - 28074
• a: 13.3609 ± 0.001 Å
• b: 7.477 ± 0.0005 Å
• c: 17.2879 ± 0.0013 Å
• α: 90°
• β: 90.927 ± 0.006°
• γ: 90°
• Cell volume: 1726.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1558
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No