Crystallography Open Database

Information card for entry 2242354

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Structure parameters

Chemical name	[4-<i>tert</i>-Butyl-2,6-bis(diphenylmethyl)phenolato-κ<i>O</i>]diethyl(tetrahydrofuran-κ<i>O</i>)aluminium
Formula	C44 H51 Al O2
Calculated formula	C44 H51 Al O2
Title of publication	[4-<i>tert</i>-Butyl-2,6-bis(diphenylmethyl)phenolato-κ<i>O</i>]diethyl(tetrahydrofuran-κ<i>O</i>)aluminium
Authors of publication	Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.; Shlyahtin, Andrei V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	2
Pages of publication	221 - 224
a	9.9357 ± 0.0013 Å
b	9.7571 ± 0.0013 Å
c	38.999 ± 0.005 Å
α	90°
β	93.586 ± 0.002°
γ	90°
Cell volume	3773.3 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
211179 (current)	2018-09-26	cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces.	2242354.cif 2242354.hkl
205876	2018-01-30	cif/ hkl/ Adding structures of 2242354 via cif-deposit CGI script.	2242354.cif 2242354.hkl