Crystallography Open Database

Information card for entry 7119740

7119739 << 7119740 >> 7119741

Preview

Coordinates	7119740.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HO-AlBPh3
Formula	C29 H42 Al B N4
Calculated formula	C29 H42 Al B N4
SMILES	[AlH]123[N]4(C)CCN1CC[N]2(C)CC[N]3(C)CC4.c1(ccccc1)[BH](c1ccccc1)c1ccccc1
Title of publication	Ring-opening of cyclic ethers by aluminum hydridotriphenylborate.
Authors of publication	Mukherjee, Debabrata; Osseili, Hassan; Truong, Khai-Nghi; Spaniol, Thomas P.; Okuda, Jun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	24
Pages of publication	3493 - 3496
a	9.8159 ± 0.0018 Å
b	10.726 ± 0.002 Å
c	13.269 ± 0.002 Å
α	87.579 ± 0.004°
β	75.801 ± 0.003°
γ	83.365 ± 0.003°
Cell volume	1345.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0793
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
194940 (current)	2017-04-05	cif/ Updating files of 7119739, 7119740 Original log message: Adding full bibliography for 7119739--7119740.cif.	7119740.cif
193015	2017-03-04	cif/ Adding structures of 7119739, 7119740 via cif-deposit CGI script.	7119740.cif