Crystallography Open Database

Information card for entry 2205523

2205522 << 2205523 >> 2205524

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Structure parameters

Chemical name	Tricosane-1,23-dithiol
Formula	C23 H48 S2
Calculated formula	C23 H48 S2
SMILES	SCCCCCCCCCCCCCCCCCCCCCCCS
Title of publication	Tricosane-1,23-dithiol
Authors of publication	Naotake Nakamura; Hirotaka Shimizu; Yoshihiro Ogawa
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	4
Pages of publication	o1046 - o1048
a	4.7477 ± 0.0005 Å
b	5.5644 ± 0.0008 Å
c	47.983 ± 0.003 Å
α	90.205 ± 0.009°
β	90.523 ± 0.007°
γ	102.288 ± 0.01°
Cell volume	1238.5 ± 0.2 Å³
Cell temperature	296 ± 1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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