Crystallography Open Database

Information card for entry 7239037

Preview

Coordinates	7239037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 N2 O5
Calculated formula	C20 H17 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	9.0098 ± 0.0008 Å
b	11.0194 ± 0.0011 Å
c	18.008 ± 0.002 Å
α	90°
β	101.284 ± 0.01°
γ	90°
Cell volume	1753.3 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1045
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.244
Weighted residual factors for all reflections included in the refinement	0.2504
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7239037.cif