Crystallography Open Database

Information card for entry 2241500

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Structure parameters

Chemical name	4,8-Di-<i>tert</i>-butyl-6,6-dichloro-13-ethyl-2,10-dimethyl-13,14-dihydro-12<i>H</i>-dibenzo[<i>d</i>,<i>i</i>][1,3,7,2]dioxazasilecine toluene 0.25-solvate
Formula	C55.5 H78 Cl4 N2 O4 Si2
Calculated formula	C55.5 H78 Cl4 N2 O4 Si2
Title of publication	Crystal structure of 4,8-di-<i>tert</i>-butyl-6,6-dichloro-13-ethyl-2,10-dimethyl-13,14-dihydro-12<i>H</i>-dibenzo[<i>d</i>,<i>i</i>][1,3,7,2]dioxazasilecine toluene 0.25-solvate
Authors of publication	Kuchuk, Ekaterina A.; Zaitsev, Kirill V.; Karlov, Sergey S.; Egorov, Mikhail P.; Churakov, Andrei V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	o1065 - o1066
a	13.9017 ± 0.0009 Å
b	13.9542 ± 0.0009 Å
c	16.9827 ± 0.0011 Å
α	69.649 ± 0.001°
β	65.978 ± 0.001°
γ	83.585 ± 0.001°
Cell volume	2819.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
181916 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15.	2241500.cif 2241500.hkl
174753	2016-01-22	cif/ hkl/ Adding structures of 2241500 via cif-deposit CGI script.	2241500.cif 2241500.hkl