Crystallography Open Database

Information card for entry 4128658

Preview

Coordinates	4128658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H74 F24 N10 O P4
Calculated formula	C87 H74 F24 N10 O P4
Title of publication	A Supramolecular Approach for Modulated Photoprotection, Lysosomal Delivery, and Photodynamic Activity of a Photosensitizer.
Authors of publication	Roy, Indranil; Bobbala, Sharan; Young, Ryan M.; Beldjoudi, Yassine; Nguyen, Minh T.; Cetin, M. Mustafa; Cooper, James A.; Allen, Sean; Anamimoghadam, Ommid; Scott, Evan A.; Wasielewski, Michael R.; Stoddart, J. Fraser
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	31
Pages of publication	12296 - 12304
a	31.4603 ± 0.0019 Å
b	15.0357 ± 0.0009 Å
c	20.4599 ± 0.001 Å
α	90°
β	104.239 ± 0.004°
γ	90°
Cell volume	9380.8 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1122
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.2636
Weighted residual factors for all reflections included in the refinement	0.2865
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
221739 (current)	2019-11-03	cif/ Adding structures of 4128658 via cif-deposit CGI script.	4128658.cif