Crystallography Open Database

Information card for entry 7158301

Preview

Coordinates	7158301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 O4
Calculated formula	C24 H26 O4
Title of publication	Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.
Authors of publication	Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	41
Pages of publication	8955 - 8967
a	10.0685 ± 0.0003 Å
b	10.1743 ± 0.0003 Å
c	20.3368 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2083.3 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
270493 (current)	2021-11-06	cif/ Updating files of 7158301, 7158302, 7158303, 7158304 Original log message: Adding full bibliography for 7158301--7158304.cif.	7158301.cif
269170	2021-09-17	cif/ Adding structures of 7158301, 7158302, 7158303, 7158304 via cif-deposit CGI script.	7158301.cif