Crystallography Open Database

Information card for entry 4038465

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Coordinates	4038465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H52 Cl6 N6 S4 Sn
Calculated formula	C50 H52 Cl6 N6 S4 Sn
Title of publication	Synthesis and Properties of Thiophene-Fused Thiopyrylium Salts.
Authors of publication	Nagahora, Noriyoshi; Kitahara, Kana; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Shioji, Kosei; Okuma, Kentaro
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	8.9661 ± 0.0008 Å
b	12.1471 ± 0.0009 Å
c	12.7912 ± 0.0013 Å
α	91.881 ± 0.007°
β	100.721 ± 0.008°
γ	93.595 ± 0.007°
Cell volume	1364.7 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.073
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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