Crystallography Open Database

Information card for entry 1557428

Preview

Coordinates	1557428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 N2 O2 P
Calculated formula	C33 H27 N2 O2 P
SMILES	C1(=C(c2c(cccc2)P1(=O)OCC)c1ccncc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Title of publication	Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress
Authors of publication	Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	13
Pages of publication	3405 - 3417
a	10.6898 ± 0.0007 Å
b	11.775 ± 0.0008 Å
c	11.9913 ± 0.0007 Å
α	71.708 ± 0.002°
β	65.4407 ± 0.0019°
γ	89.239 ± 0.002°
Cell volume	1291.4 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0899
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
257350 (current)	2020-10-06	cif/ Updating files of 1557428, 1557429 Original log message: Adding full bibliography for 1557428--1557429.cif.	1557428.cif
250239	2020-04-05	cif/ Updating files of 1557428, 1557429 Original log message: Adding full bibliography for 1557428--1557429.cif.	1557428.cif
248632	2020-03-03	cif/ Adding structures of 1557428, 1557429 via cif-deposit CGI script.	1557428.cif