Crystallography Open Database

Information card for entry 1505821

Preview

Coordinates	1505821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 F12 N6 O8 S4
Calculated formula	C17 H18 F12 N6 O8 S4
SMILES	S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.n12CC3(Cc2[n+](cc1)C)Cn1cc[n+](c1C3)C
Title of publication	Design and synthesis of novel chiral spiro ionic liquids.
Authors of publication	Patil, Mahesh L.; Rao, C. V. Laxman; Yonezawa, Kohji; Takizawa, Shinobu; Onitsuka, Kiyotaka; Sasai, Hiroaki
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	2
Pages of publication	227 - 230
a	14.16 ± 0.01 Å
b	9.62 ± 0.01 Å
c	22.15 ± 0.01 Å
α	90°
β	92 ± 0.05°
γ	90°
Cell volume	3015 ± 4 Å³
Cell temperature	293.2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	2.037
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505821.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505821.cif
47767	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505821 via cif-deposit CGI script.	1505821.cif