Crystallography Open Database

Information card for entry 7158304

Preview

Coordinates	7158304.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	10.0659 ± 0.0002 Å
b	10.174 ± 0.0003 Å
c	20.3251 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2081.5 ± 0.09 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	0.072
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1279
Weighted residual factors for all reflections included in the refinement	0.1412
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	7158304.cif
269170	2021-09-17	cif/ Adding structures of 7158301, 7158302, 7158303, 7158304 via cif-deposit CGI script.	7158304.cif