Crystallography Open Database

Information card for entry 7128577

Preview

Coordinates	7128577.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Iminoborane
Chemical name	Iminoborane
Formula	C42 H69 Al B N
Calculated formula	C42 H69 Al B N
SMILES	[Al]1(C(=C(CC)C(CC)=C(B(N1C(C)(C)C)c1c(cc(cc1C)C)C)CC)CC)C1(C=C(C(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Synthesis of novel six-, seven- and eight-membered aluminum-containing rings by alumole ring expansion.
Authors of publication	Drescher, Regina; Ritschel, Benedikt; Dewhurst, Rian D.; Deißenberger, Andrea; Hofmann, Alexander; Braunschweig, Holger
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	61
Pages of publication	7505 - 7508
a	9.255 ± 0.003 Å
b	13.353 ± 0.003 Å
c	17.129 ± 0.005 Å
α	83.886 ± 0.006°
β	83.022 ± 0.011°
γ	71.208 ± 0.007°
Cell volume	1984 ± 1 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	0.0579
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
268497 (current)	2021-09-06	cif/ Updating files of 7128576, 7128577, 7128578, 7128579, 7128580 Original log message: Adding full bibliography for 7128576--7128580.cif.	7128577.cif
266821	2021-07-01	cif/ Adding structures of 7128576, 7128577, 7128578, 7128579, 7128580 via cif-deposit CGI script.	7128577.cif