Crystallography Open Database

Information card for entry 7250785

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Coordinates	7250785.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
301678 (current)	2025-08-07	cif/ Adding structures of 7250784, 7250785, 7250786, 7250787 via cif-deposit CGI script.	7250785.cif