Crystallography Open Database

Information card for entry 7242036

7242035 << 7242036 >> 7242037

Preview

Coordinates	7242036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 N3
Calculated formula	C23 H15 N3
SMILES	Nc1c(C#N)c(c2c3c(cc4c2cccc4)cccc3)cc(c1C#N)C
Title of publication	Binding interactions and FRET between bovine serum albumin and various phenothiazine-/anthracene-based dyes: a structure–property relationship
Authors of publication	Bhuin, Shouvik; Halder, Sayantan; Saha, Subit Kumar; Chakravarty, Manab
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	3
Pages of publication	1679 - 1693
a	31.6645 ± 0.0004 Å
b	11.334 ± 0.0002 Å
c	18.9113 ± 0.0002 Å
α	90°
β	91.192 ± 0.001°
γ	90°
Cell volume	6785.52 ± 0.16 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297561 (current)	2025-02-01	cif/7 Fixing Z values and formulae	7242036.cif
260859	2021-01-08	cif/ Adding structures of 7242035, 7242036 via cif-deposit CGI script.	7242036.cif