Crystallography Open Database

Information card for entry 7156909

Preview

Coordinates	7156909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 N O5 S
Calculated formula	C27 H25 N O5 S
Title of publication	Facile synthesis of chiral ε-sultams via an organocatalytic aza-Friedel-Crafts reaction.
Authors of publication	Zhao, Zi-Biao; Shi, Lei; Li, Yaming; Meng, Fan-Jie; Zhou, Yong-Gui
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	26
Pages of publication	6364 - 6368
a	8.0766 ± 0.0008 Å
b	9.1009 ± 0.0009 Å
c	33.009 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2426.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
225116 (current)	2019-11-08	cif/ Updating files of 7156909 Original log message: Adding full bibliography for 7156909.cif.	7156909.cif
215910	2019-06-13	cif/ Adding structures of 7156909 via cif-deposit CGI script.	7156909.cif