Crystallography Open Database

Information card for entry 7121399

Preview

Coordinates	7121399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 N3 O3 S
Calculated formula	C23 H19 N3 O3 S
Title of publication	A chiral Brønsted acid-catalyzed highly enantioselective Mannich-type reaction of α-diazo esters with in situ generated N-acyl ketimines.
Authors of publication	Unhale, Rajshekhar A.; Sadhu, Milon M.; Ray, Sumit K.; Biswas, Rayhan G.; Singh, Vinod K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	28
Pages of publication	3516 - 3519
a	8.5975 ± 0.0002 Å
b	12.0983 ± 0.0002 Å
c	19.96 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2076.14 ± 0.07 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	0.0449
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
227982 (current)	2019-11-17	cif/ Updating files of 7121399 Original log message: Adding full bibliography for 7121399.cif.	7121399.cif
206951	2018-03-15	cif/ Adding structures of 7121399 via cif-deposit CGI script.	7121399.cif