Crystallography Open Database

Information card for entry 4120098

4120097 << 4120098 >> 4120099

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Coordinates	4120098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 Cl F6 N2 O S
Calculated formula	C29 H27 Cl F6 N2 O S
SMILES	s1c(cc(C2=C(c3c(n(c4ccc(OC)cc34)C)C)C(F)(F)C(F)(F)C2(F)F)c1C)C[NH2+]Cc1ccccc1.[Cl-]
Title of publication	Dual-Stimulus Luminescent Lanthanide Molecular Switch Based on an Unsymmetrical Diarylperfluorocyclopentene
Authors of publication	Hong-Bo Cheng; Heng-Yi Zhang; Yu Liu
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10190 - 10193
a	6.7922 ± 0.0009 Å
b	20.03 ± 0.003 Å
c	20.499 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2788.8 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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