Crystallography Open Database

Information card for entry 7200376

7200375 << 7200376 >> 7200377

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Structure parameters

Formula	C35 H38 F6 S2
Calculated formula	C35 H38 F6 S2
SMILES	s1c(CCCCCCC)c(c2c1cccc2)C1=C(C(F)(F)C(F)(F)C1(F)F)c1c2ccccc2sc1CCCCCCC
Title of publication	Highly fluorescent photochromic diarylethene with an excellent fatigue property
Authors of publication	Jeong, Yong-Chul; Park, Dae Gyu; Lee, In Su; Yang, Sung Ik; Ahn, Kwang-Hyun
Journal of publication	Journal of Materials Chemistry
Year of publication	2009
Journal volume	19
Journal issue	1
Pages of publication	97
a	10.8702 ± 0.0005 Å
b	12.6588 ± 0.0006 Å
c	14.6884 ± 0.001 Å
α	109.028 ± 0.003°
β	99.41 ± 0.003°
γ	111.268 ± 0.002°
Cell volume	1687.08 ± 0.17 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1476
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2817
Weighted residual factors for all reflections included in the refinement	0.3405
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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