Crystallography Open Database

Information card for entry 7157502

Preview

Coordinates	7157502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 N2 O2 S
Calculated formula	C26 H24 N2 O2 S
Title of publication	Asymmetric N-aminoalkylation of 3-substituted indoles by N-protected N,O-acetals: an access to chiral propargyl aminals.
Authors of publication	Yang, Junxian; He, Zeyuan; Hong, Liang; Sun, Wangsheng; Wang, Rui
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	22
Pages of publication	4169 - 4173
a	9.3559 ± 0.0002 Å
b	9.3559 ± 0.0002 Å
c	60.611 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5305.5 ± 0.3 Å³
Cell temperature	292.01 ± 0.1 K
Ambient diffraction temperature	292.01 ± 0.1 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.087
Weighted residual factors for significantly intense reflections	0.2483
Weighted residual factors for all reflections included in the refinement	0.2589
Goodness-of-fit parameter for all reflections included in the refinement	0.868
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253977 (current)	2020-07-06	cif/ Updating files of 7157502 Original log message: Adding full bibliography for 7157502.cif.	7157502.cif
252083	2020-05-16	cif/ Adding structures of 7157502 via cif-deposit CGI script.	7157502.cif