Crystallography Open Database

Information card for entry 7239211

Preview

Coordinates	7239211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 O5
Calculated formula	C25 H26 O5
Title of publication	Hetero Diels‒Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C
Authors of publication	Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	40
Pages of publication	18279
a	8.2985 ± 0.0003 Å
b	28.795 ± 0.0011 Å
c	9.4916 ± 0.0003 Å
α	90°
β	111.617 ± 0.002°
γ	90°
Cell volume	2108.55 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
244601 (current)	2019-11-28	cif/ Adding structures of 7239210, 7239211, 7239212, 7239213, 7239214 via cif-deposit CGI script.	7239211.cif