Crystallography Open Database

Information card for entry 7120990

7120989 << 7120990 >> 7120991

Preview

Coordinates	7120990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 N2 O2
Calculated formula	C21 H22 N2 O2
SMILES	Oc1cc2ccccc2cc1/N=C/c1c(O)cc(N(CC)CC)cc1
Title of publication	Water soluble two-photon fluorescent organic probes for long-term imaging of lysosomes in live cells and tumor spheroids.
Authors of publication	Kumari, Pratibha; Verma, Sanjay K.; Mobin, Shaikh M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	5
Pages of publication	539 - 542
a	10.467 ± 0.002 Å
b	6.9909 ± 0.0013 Å
c	23.485 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1718.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1912
Residual factor for significantly intense reflections	0.155
Weighted residual factors for significantly intense reflections	0.3837
Weighted residual factors for all reflections included in the refinement	0.413
Goodness-of-fit parameter for all reflections included in the refinement	1.336
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
228146 (current)	2019-11-17	cif/ Updating files of 7120990 Original log message: Adding full bibliography for 7120990.cif.	7120990.cif
204225	2017-12-14	cif/ Adding structures of 7120990 via cif-deposit CGI script.	7120990.cif