Crystallography Open Database

Information card for entry 4517855

Preview

Coordinates	4517855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 N2 O4
Calculated formula	C19 H16 N2 O4
Title of publication	Adaptable DNA-Interactive Probe Proficient at Selective Turn-On Sensing for Al3+: Insight from the Crystal Structure, Photophysical Studies, and Molecular Logic Gate
Authors of publication	Saha, Urmila; Das, Bhriguram; Dolai, Malay; Butcher, Ray J.; Suresh Kumar, Gopinatha
Journal of publication	ACS Omega
Year of publication	2020
Journal volume	5
Journal issue	29
Pages of publication	18411 - 18423
a	6.3075 ± 0.0003 Å
b	19.6917 ± 0.0011 Å
c	12.4837 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1550.54 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0665
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
257062 (current)	2020-10-04	cif/ Updating files of 4517855 Original log message: Adding full bibliography for 4517855.cif.	4517855.cif
254763	2020-08-04	cif/ Updating files of 4517855 Original log message: Adding full bibliography for 4517855.cif.	4517855.cif
254346	2020-07-17	cif/ Adding structures of 4517855 via cif-deposit CGI script.	4517855.cif