Crystallography Open Database

Information card for entry 7133531

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Coordinates	7133531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H41 N5 O2
Calculated formula	C56 H41 N5 O2
Title of publication	Thiophene assisted cellular uptake enhancement for highly efficient NIR-II cancer phototheranostics.
Authors of publication	Zhang, Yue; Yu, Jia; Li, Chunbin; Gong, Jianye; Wu, Yifan; Feng, Lina; Chen, Zihan; Sha, Renmanduhu; Jiang, Guoyu; Wang, Jianguo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	73
Pages of publication	9942 - 9945
a	10.17742 ± 0.00009 Å
b	14.91873 ± 0.00016 Å
c	17.25327 ± 0.00019 Å
α	67.1553 ± 0.001°
β	86.4455 ± 0.0008°
γ	80.1926 ± 0.0008°
Cell volume	2378.85 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295097 (current)	2024-10-06	cif/ Updating files of 7133531, 7133532 Original log message: Adding full bibliography for 7133531--7133532.cif.	7133531.cif
294134	2024-08-16	cif/ Adding structures of 7133531, 7133532 via cif-deposit CGI script.	7133531.cif