Crystallography Open Database

Information card for entry 7157266

Preview

Coordinates	7157266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H48 O4
Calculated formula	C34 H48 O4
Title of publication	Palladium catalyzed synthesis of benzannulated steroid spiroketals.
Authors of publication	Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	4
Pages of publication	725 - 737
a	11.3526 ± 0.0007 Å
b	7.2237 ± 0.0003 Å
c	19.7666 ± 0.0012 Å
α	90°
β	104.982 ± 0.006°
γ	90°
Cell volume	1565.91 ± 0.16 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0513
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247813 (current)	2020-02-04	cif/ Updating files of 7157265, 7157266, 7157267, 7157268, 7157269, 7157270 Original log message: Adding full bibliography for 7157265--7157270.cif.	7157266.cif
245423	2019-12-20	cif/ Adding structures of 7157265, 7157266, 7157267, 7157268, 7157269, 7157270 via cif-deposit CGI script.	7157266.cif