Crystallography Open Database

Information card for entry 7243979

Preview

Coordinates	7243979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 Cl N2 O
Calculated formula	C16 H19 Cl N2 O
SMILES	[Cl-].O=C(N)[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1
Title of publication	A carbon dioxide-promoted three-component Strecker reaction
Authors of publication	Fauziev, Ruslan V.; Ivanov, Roman E.; Kuchurov, Ilya V.; Zlotin, Sergei G.
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	24
Pages of publication	10137 - 10144
a	7.78804 ± 0.00005 Å
b	10.18953 ± 0.00007 Å
c	19.93923 ± 0.00014 Å
α	90°
β	90°
γ	90°
Cell volume	1582.31 ± 0.019 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0249
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271847 (current)	2022-01-06	cif/ Updating files of 7243979 Original log message: Adding full bibliography for 7243979.cif.	7243979.cif
270953	2021-12-01	cif/ Adding structures of 7243979 via cif-deposit CGI script.	7243979.cif