Crystallography Open Database

Information card for entry 2004888

2004887 << 2004888 >> 2004889

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Coordinates	2004888.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[tert-Butyl(methyl)ether-O]-lithium phenylmethanide
Formula	C12 H19 Li O
Calculated formula	C12 H19 Li O
SMILES	c1(ccccc1)C[Li]([O](C)C(C)(C)C)[CH2](c1ccccc1)[Li][O](C)C(C)(C)C
Title of publication	Benzyllithium <i>tert</i>-Butyl Methyl Etherate
Authors of publication	Müller, G.; Lutz, M.; Waldkircher, M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	5
Pages of publication	1182 - 1184
a	13.103 ± 0.004 Å
b	7.734 ± 0.001 Å
c	13.392 ± 0.004 Å
α	90°
β	119.09 ± 0.01°
γ	90°
Cell volume	1185.9 ± 0.5 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	4
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	0.1607
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for all reflections	0.1379
Weighted residual factors for significantly intense reflections	0.1058
Goodness-of-fit parameter for all reflections	1.006
Goodness-of-fit parameter for significantly intense reflections	1.128
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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