Crystallography Open Database

Information card for entry 7054281

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Coordinates	7054281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H36 F6 N2 O S2
Calculated formula	C39 H36 F6 N2 O S2
Title of publication	A photo- and halochromic multicolor switching system consisting of diarylethene and malachite green moieties
Authors of publication	Tatsumi, Yuto; Fujinaga, Noriko; Kasuno, Megumi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Journal of publication	New J. Chem.
Year of publication	2014
Journal volume	38
Journal issue	12
Pages of publication	5706
a	11.2558 ± 0.0007 Å
b	11.4911 ± 0.0007 Å
c	15.6438 ± 0.0009 Å
α	70.633 ± 0.001°
β	82.699 ± 0.001°
γ	64.073 ± 0.001°
Cell volume	1716.39 ± 0.18 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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