Crystallography Open Database

Information card for entry 7706540

Preview

Coordinates	7706540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 Al Cl3 N2
Calculated formula	C27 H36 Al Cl3 N2
SMILES	Cl[Al](Cl)(Cl)=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C
Title of publication	The carbene transfer to strong Lewis acids: copper is better than silver.
Authors of publication	Mikhaylov, Vladimir N.; Kazakov, Igor V.; Parfeniuk, Tatiana N.; Khoroshilova, Olesya V.; Scheer, Manfred; Timoshkin, Alexey Y.; Balova, Irina A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	8
Pages of publication	2872 - 2879
a	16.49269 ± 0.00012 Å
b	19.41043 ± 0.00012 Å
c	19.28026 ± 0.00014 Å
α	90°
β	112.261 ± 0.0009°
γ	90°
Cell volume	5712.15 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
262607 (current)	2021-03-05	cif/ Updating files of 7706540, 7706541, 7706542, 7706543 Original log message: Adding full bibliography for 7706540--7706543.cif.	7706540.cif
261377	2021-02-03	cif/ Adding structures of 7706540, 7706541, 7706542, 7706543 via cif-deposit CGI script.	7706540.cif