Crystallography Open Database

Information card for entry 2241327

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Structure parameters

Chemical name	Hexaprop-2-en-1-yl 4,4',4'',4''',4'''',4'''''-[1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexaylhexakis(oxy)]hexabenzoate
Formula	C60 H54 N3 O18 P3
Calculated formula	C60 H54 N3 O18 P3
Title of publication	Crystal structure of hexaprop-2-en-1-yl 4,4',4'',4''',4'''',4'''''-[1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexaylhexakis(oxy)]hexabenzoate
Authors of publication	Zhu, Jing; Li, Qian; Zheng, Fu-Wei; He, Juan; Qu, Ling-Bo
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	o955 - o956
a	7.97548 ± 0.00011 Å
b	16.9389 ± 0.0003 Å
c	43.0661 ± 0.0007 Å
α	90°
β	93.634 ± 0.0014°
γ	90°
Cell volume	5806.35 ± 0.16 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
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	0.075
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181914 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13.	2241327.cif 2241327.hkl
170405	2015-11-19	cif/ hkl/ Adding structures of 2241327 via cif-deposit CGI script.	2241327.cif 2241327.hkl