Crystallography Open Database

Information card for entry 7249642

Preview

Coordinates	7249642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 N3 O5
Calculated formula	C26 H23 N3 O5
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	12.1866 ± 0.0013 Å
b	14.7266 ± 0.0016 Å
c	26.278 ± 0.003 Å
α	90°
β	99.145 ± 0.003°
γ	90°
Cell volume	4656.1 ± 0.9 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1347
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1572
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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.	7249642.cif
296127	2024-11-27	cif/ Adding structures of 7249640, 7249641, 7249642 via cif-deposit CGI script.	7249642.cif