Crystallography Open Database

Information card for entry 1558616

Preview

Coordinates	1558616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N O4
Calculated formula	C21 H19 N O4
SMILES	O1COc2c1cc1c(c2)ccc2c1N(Cc1c2ccc(OC)c1OC)C
Title of publication	Photoactivatable dihydroalkaloids for cancer cell imaging and chemotherapy with high spatiotemporal resolution
Authors of publication	Ling, Xia; Huang, Letao; Li, Youzhen; Wan, Qing; Wang, Zhiming; Qin, Anjun; Gao, Meng; Tang, Ben Zhong
Journal of publication	Materials Horizons
Year of publication	2020
Journal volume	7
Journal issue	10
Pages of publication	2696 - 2701
a	20.276 ± 0.003 Å
b	8.9776 ± 0.0009 Å
c	9.1929 ± 0.001 Å
α	90°
β	99.218 ± 0.005°
γ	90°
Cell volume	1651.8 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
258151 (current)	2020-10-06	cif/ Updating files of 1558616, 1558617, 1558618 Original log message: Adding full bibliography for 1558616--1558618.cif.	1558616.cif
254387	2020-07-18	cif/ Adding structures of 1558616, 1558617, 1558618 via cif-deposit CGI script.	1558616.cif