Crystallography Open Database

Information card for entry 7121180

Preview

Coordinates	7121180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 Cl2 N6 O7
Calculated formula	C33 H34 Cl2 N6 O7
SMILES	ClCCl.O1c2cc(N(N=O)CCN3CCOCC3)ccc2C2(OC(=O)c3c2cccc3)c2ccc(N(N=O)CCN3CCOCC3)cc12
Title of publication	Super-resolution imaging of lysosomes with a nitroso-caged rhodamine.
Authors of publication	He, Haihong; Ye, Zhiwei; Zheng, Ying; Xu, Xiu; Guo, Chunlei; Xiao, Yi; Yang, Wei; Qian, Xuhong; Yang, Youjun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	23
Pages of publication	2842 - 2845
a	11.1425 ± 0.0003 Å
b	11.9013 ± 0.0004 Å
c	13.4239 ± 0.0004 Å
α	100.486 ± 0.001°
β	92.781 ± 0.001°
γ	103.209 ± 0.001°
Cell volume	1696.54 ± 0.09 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	301.83 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1101
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2241
Weighted residual factors for all reflections included in the refinement	0.2455
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228456 (current)	2019-11-17	cif/ Updating files of 7121180 Original log message: Adding full bibliography for 7121180.cif.	7121180.cif
205516	2018-01-24	cif/ Adding structures of 7121180 via cif-deposit CGI script.	7121180.cif