Crystallography Open Database

Information card for entry 7249640

Preview

Coordinates	7249640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 F3 N5 O3
Calculated formula	C25 H18 F3 N5 O3
Title of publication	Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID
Authors of publication	Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	2
Pages of publication	138 - 145
a	10.7282 ± 0.0009 Å
b	10.7734 ± 0.0009 Å
c	11.9845 ± 0.0011 Å
α	85.55 ± 0.002°
β	65.237 ± 0.002°
γ	64.849 ± 0.002°
Cell volume	1130.01 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
298191 (current)	2025-03-04	cif/ Updating files of 7249640, 7249641, 7249642 Original log message: Adding full bibliography for 7249640--7249642.cif.	7249640.cif
296127	2024-11-27	cif/ Adding structures of 7249640, 7249641, 7249642 via cif-deposit CGI script.	7249640.cif