Crystallography Open Database

Information card for entry 2102019

2102018 << 2102019 >> 2102020

Preview

Coordinates	2102019.cif
Structure factors	2102019.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	1,1,3,3,5,5-Hexaphenyltrisiloxane-1,5-diol–pyrazine (4/1)
Formula	C148 H132 N2 O16 Si12
Calculated formula	C148 H132 N2 O16 Si12
SMILES	n1ccncc1.O[Si](O[Si](O[Si](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)O[Si](O[Si](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](O[Si](O[Si](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](O[Si](O[Si](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions
Authors of publication	O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section B
Year of publication	2000
Journal volume	56
Journal issue	2
Pages of publication	273 - 286
a	14.2354 ± 0.001 Å
b	15.296 ± 0.0014 Å
c	18.747 ± 0.0014 Å
α	71.764 ± 0.006°
β	88.862 ± 0.006°
γ	62.544 ± 0.007°
Cell volume	3402.7 ± 0.6 Å³
Cell temperature	294 ± 1 K
Ambient diffraction temperature	294 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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