Crystallography Open Database

Information card for entry 7159459

Preview

Coordinates	7159459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 O4
Calculated formula	C24 H22 O4
Title of publication	<i>ortho</i>-[1-(<i>p</i>-MeOPhenyl)vinyl]benzoate PMPVB as a recyclable auxiliary for C-O and C-S bond formation reactions under Brønsted acid catalysis.
Authors of publication	Moktan, Sangay; Rotta, Mahendra K. V.; Halder, Suvendu; Pradhan, Priyanka; Kancharla, Pavan K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	29
Pages of publication	5929 - 5934
a	7.2137 ± 0.0005 Å
b	6.6371 ± 0.0005 Å
c	20.4802 ± 0.0015 Å
α	90°
β	95.575 ± 0.002°
γ	90°
Cell volume	975.91 ± 0.12 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 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	0.0736
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1838
Weighted residual factors for all reflections included in the refinement	0.1882
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
285501 (current)	2023-08-05	cif/ Updating files of 7159459, 7159460 Original log message: Adding full bibliography for 7159459--7159460.cif.	7159459.cif
285015	2023-07-06	cif/ Adding structures of 7159459, 7159460 via cif-deposit CGI script.	7159459.cif