Crystallography Open Database

Information card for entry 7127795

Preview

Coordinates	7127795.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(3aR,8bR)-3a-phenyl-3,3a,5,8b-tetrahydro-1H-furo[3,2-d]thieno[3,4-b]pyran
Formula	C15 H14 O2 S
Calculated formula	C15 H14 O2 S
Title of publication	Enantioselective H-bond-directed vinylogous iminium ion strategy for the functionalization of vinyl-substituted heteroaryl aldehydes.
Authors of publication	Skrzyńska, Anna; Frankowski, Sebastian; Topolska, Aleksandra; Dyguda, Mateusz; Gao, Xin-Yue; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	13
Pages of publication	1667 - 1670
a	7.3707 ± 0.0001 Å
b	10.3546 ± 0.0001 Å
c	8.6086 ± 0.0001 Å
α	90°
β	108.874 ± 0.001°
γ	90°
Cell volume	621.688 ± 0.013 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0194
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0511
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
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
262489 (current)	2021-03-05	cif/ Updating files of 7127795, 7127796 Original log message: Adding full bibliography for 7127795--7127796.cif.	7127795.cif
260895	2021-01-11	cif/ Adding structures of 7127795, 7127796 via cif-deposit CGI script.	7127795.cif