Crystallography Open Database

Information card for entry 7239038

Preview

Coordinates	7239038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N2 O5
Calculated formula	C20 H18 N2 O5
Title of publication	Stereoselective synthesis of highly functionalized tetrahydrocarbazoles through a domino Michael‒Henry reaction: an easy access to four contiguous chiral centers
Authors of publication	Jaiswal, Pradeep Kumar; Biswas, Soumen; Singh, Shivendra; Pathak, Biswarup; Mobin, Shaikh M.; Samanta, Sampak
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	27
Pages of publication	10644
a	8.876 ± 0.0002 Å
b	11.1516 ± 0.0002 Å
c	17.9923 ± 0.0006 Å
α	90°
β	104.062 ± 0.003°
γ	90°
Cell volume	1727.54 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0888
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.2457
Weighted residual factors for all reflections included in the refinement	0.2516
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
244517 (current)	2019-11-28	cif/ Adding structures of 7239037, 7239038 via cif-deposit CGI script.	7239038.cif