Crystallography Open Database

Information card for entry 7126463

Preview

Coordinates	7126463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H59 Al N4
Calculated formula	C37 H59 Al N4
SMILES	[Al]12([N](C(C)(C)C)=CN2C(C)(C)C)N(C(=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Reduction of carbodiimides by a dialumane through insertion and cycloaddition.
Authors of publication	Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	47
Pages of publication	6352 - 6355
a	12.7376 ± 0.0009 Å
b	12.7376 ± 0.0009 Å
c	22.3806 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3631.2 ± 0.4 Å³
Cell temperature	159 ± 2 K
Ambient diffraction temperature	159 ± 2 K
Number of distinct elements	4
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
253806 (current)	2020-07-06	cif/ Updating files of 7126459, 7126460, 7126461, 7126462, 7126463, 7126464 Original log message: Adding full bibliography for 7126459--7126464.cif.	7126463.cif
251295	2020-04-30	cif/ Adding structures of 7126459, 7126460, 7126461, 7126462, 7126463, 7126464 via cif-deposit CGI script.	7126463.cif