Crystallography Open Database

Information card for entry 1563412

Preview

Coordinates	1563412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 N3 O3
Calculated formula	C22 H27 N3 O3
SMILES	O=C1N(C(=O)c2c3c1ccc(NCCN1CCOCC1)c3ccc2)CCCC
Title of publication	Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.
Authors of publication	Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.
Journal of publication	Chemical science
Year of publication	2021
Journal volume	12
Journal issue	28
Pages of publication	9630 - 9644
a	6.9422 ± 0.0009 Å
b	18.635 ± 0.002 Å
c	29.823 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3858.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1931
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
268627 (current)	2021-09-06	cif/ Updating files of 1563412, 1563413, 1563414, 1563415, 1563416 Original log message: Adding full bibliography for 1563412--1563416.cif.	1563412.cif
266447	2021-06-15	cif/ Adding structures of 1563412, 1563413, 1563414, 1563415, 1563416 via cif-deposit CGI script.	1563412.cif