Crystallography Open Database

Information card for entry 4104162

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Structure parameters

Formula	C41 H36 N4
Calculated formula	C41 H36 N4
SMILES	n1c(cc(cc1c1ncccc1)c1ccc(cc1)/C=C/c1ccc2n(c3c(c2c1)cccc3)CCCCCC)c1ncccc1
Title of publication	A Sulfur-Terminal Zn(II) Complex and Its Two-Photon Microscopy Biological Imaging Application
Authors of publication	Yuanhao Gao; Jieying Wu; Yiming Li; Pingping Sun; Hongping Zhou; Jiaxiang Yang; Shengyi Zhang; Baokang Jin; Yupeng Tian
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	5208 - 5213
a	13.119 ± 0.005 Å
b	22.715 ± 0.008 Å
c	11.114 ± 0.004 Å
α	90°
β	106.552 ± 0.005°
γ	90°
Cell volume	3175 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1646
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1738
Weighted residual factors for all reflections included in the refinement	0.2755
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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