Crystallography Open Database

Information card for entry 7157147

Preview

Coordinates	7157147.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	28
Formula	C25 H24 N2 O2 S
Calculated formula	C25 H24 N2 O2 S
Title of publication	cis-Selective synthesis of 1,3-disubstituted tetrahydro-β-carbolines from N-sulfonyl N,S-acetals.
Authors of publication	Luo, Shao-Xiong; Liu, Yanzhou; Lambrecht, Michael J.; Ortwine, Daniel F.; DiPasquale, Antonio G.; Liang, Jun; Wang, Xiaojing; Zbieg, Jason R.; Li, Jun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	43
Pages of publication	9510
a	9.0518 ± 0.0004 Å
b	12.1315 ± 0.0005 Å
c	18.9731 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2083.47 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0472
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
225313 (current)	2019-11-08	cif/ Updating files of 7157147, 7157148 Original log message: Adding full bibliography for 7157147--7157148.cif.	7157147.cif
219311	2019-10-12	cif/ Adding structures of 7157147, 7157148 via cif-deposit CGI script.	7157147.cif