Crystallography Open Database

Information card for entry 7058134

Preview

Coordinates	7058134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 O4
Calculated formula	C13 H14 O4
Title of publication	The first enantioselective strategy towards speciosins
Authors of publication	Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Pandolfi, Enrique; Schapiro, Valeria
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	9
Pages of publication	3653
a	8.9464 ± 0.0003 Å
b	6.8743 ± 0.0002 Å
c	9.9114 ± 0.0003 Å
α	90°
β	90.1 ± 0.002°
γ	90°
Cell volume	609.55 ± 0.03 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0605
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224894 (current)	2019-11-08	cif/ Updating files of 7058134 Original log message: Adding full bibliography for 7058134.cif.	7058134.cif
213438	2019-02-02	cif/ Adding structures of 7058134 via cif-deposit CGI script.	7058134.cif