Crystallography Open Database

Information card for entry 2204281

2204280 << 2204281 >> 2204282

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Structure parameters

Chemical name	1,4-Bis(3,5-di-tert-butyl-2-hydroxybenzylideneaminomethyl)benzene
Formula	C38 H52 N2 O2
Calculated formula	C38 H52 N2 O2
SMILES	Oc1c(/C=N/Cc2ccc(cc2)C/N=C\c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C
Title of publication	1,4-Bis(3,5-di-<i>tert</i>-butyl-2-hydroxybenzylideneaminomethyl)benzene
Authors of publication	Tooke, Duncan M.; Song, Yufei; van Albada, Gerard A.; Reedijk, Jan; Spek, Anthony L.
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	o1907 - o1908
a	15.8792 ± 0.0018 Å
b	10.4601 ± 0.0011 Å
c	10.4395 ± 0.0015 Å
α	90°
β	106.856 ± 0.01°
γ	90°
Cell volume	1659.5 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0799
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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