Crystallography Open Database

Information card for entry 7240359

Preview

Coordinates	7240359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N2 O2
Calculated formula	C14 H12 N2 O2
SMILES	Oc1c(cc(cc1/C=N/c1cccnc1)C)C=O
Title of publication	4-Methyl-2,6-diformylphenol based biocompatible chemosensors for pH: discrimination between normal cells and cancer cells
Authors of publication	Dhawa, Tanumoy; Hazra, Ananta; Barma, Arpita; Pal, Kunal; Karmakar, Parimal; Roy, Partha
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	26
Pages of publication	15501 - 15513
a	29.004 ± 0.004 Å
b	37.698 ± 0.006 Å
c	4.4554 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4871.5 ± 1.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1715
Residual factor for significantly intense reflections	0.0919
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.223
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
258034 (current)	2020-10-06	cif/ Updating files of 7240359, 7240360 Original log message: Adding full bibliography for 7240359--7240360.cif.	7240359.cif
250974	2020-04-21	cif/ Adding structures of 7240359, 7240360 via cif-deposit CGI script.	7240359.cif