Crystallography Open Database

Information card for entry 7156737

Preview

Coordinates	7156737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N O4 S
Calculated formula	C19 H19 N O4 S
Title of publication	Mitsunobu-initiated cascade cyclization of p-quinamines and 2-furanylmethanols: highly regio- and diastereoselective synthesis of functionalized hydrobenzo[c,d]indoles.
Authors of publication	Cao, Bo; Wei, Yin; Shi, Min
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	15
Pages of publication	3737 - 3740
a	16.3542 ± 0.001 Å
b	6.0255 ± 0.0004 Å
c	17.1246 ± 0.0012 Å
α	90°
β	98.854 ± 0.002°
γ	90°
Cell volume	1667.39 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
225240 (current)	2019-11-08	cif/ Updating files of 7156737 Original log message: Adding full bibliography for 7156737.cif.	7156737.cif
214245	2019-03-21	cif/ Adding structures of 7156737 via cif-deposit CGI script.	7156737.cif