Crystallography Open Database

Information card for entry 1505821

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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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1505821.cif
176435	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