Crystallography Open Database

Information card for entry 7134527

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Coordinates	7134527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 I2 N4 O3 S4
Calculated formula	C54 H52 I2 N4 O3 S4
Title of publication	Construction of polymethine chain-modified pentamethylene cyanine dyes for G-quadruplex imaging in live cells
Authors of publication	Guan, Li; Li, Jun; Zhou, Yanyan; Li, Anyang; Yin, Lili; Guan, Wenhui; Fu, Yile
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	48
Pages of publication	8719 - 8722
a	10.702 ± 0.002 Å
b	11.213 ± 0.002 Å
c	12.216 ± 0.002 Å
α	107.31 ± 0.006°
β	104.509 ± 0.006°
γ	102.423 ± 0.006°
Cell volume	1286.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1668
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2256
Weighted residual factors for all reflections included in the refinement	0.2558
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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