Crystallography Open Database

Information card for entry 4036928

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Coordinates	4036928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Cl F3 N2 O5
Calculated formula	C24 H26 Cl F3 N2 O5
Title of publication	Deep-Red and Near-Infrared Xanthene Dyes for Rapid Live Cell Imaging.
Authors of publication	Niu, Guangle; Liu, Weimin; Zhou, Bingjiang; Xiao, Hongyan; Zhang, Hongyan; Wu, Jiasheng; Ge, Jiechao; Wang, Pengfei
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	17
Pages of publication	7393 - 7399
a	20.165 ± 0.004 Å
b	7.1874 ± 0.0014 Å
c	34.207 ± 0.007 Å
α	90°
β	104.89 ± 0.03°
γ	90°
Cell volume	4791.3 ± 1.8 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.2019
Weighted residual factors for all reflections included in the refinement	0.2096
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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