Crystallography Open Database

Information card for entry 7208736

7208735 << 7208736 >> 7208737

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Coordinates	7208736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 N2 S2
Calculated formula	C19 H23 N2 S2
Title of publication	Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes
Authors of publication	Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	6515
a	16.4467 ± 0.0011 Å
b	7.9431 ± 0.0004 Å
c	26.0004 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3396.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1661
Residual factor for significantly intense reflections	0.1384
Weighted residual factors for significantly intense reflections	0.3609
Weighted residual factors for all reflections included in the refinement	0.3854
Goodness-of-fit parameter for all reflections included in the refinement	1.768
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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