Crystallography Open Database

Information card for entry 7250355

Preview

Coordinates	7250355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H34.34 N O4.67
Calculated formula	C29 H34.34 N O4.67
Title of publication	Design and synthesis of tetrahydrochromeno[3,4-e]isoindole-1,3(2H,3aH)-dione derivatives via the Diels–Alder reaction: molecular docking, antibacterial activity, ADMET analysis and photophysical properties
Authors of publication	Parida, Sonali Priyadarshini; Mohapatra, Seetaram; Mohapatra, Suhasini; Behera, Tankadhar; Nayak, Sabita; Sahoo, Chita Ranjan
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	18
Pages of publication	14499 - 14517
a	10.1175 ± 0.0005 Å
b	11.0197 ± 0.0005 Å
c	22.3483 ± 0.0013 Å
α	90°
β	90.674 ± 0.005°
γ	90°
Cell volume	2491.5 ± 0.2 Å³
Cell temperature	266 ± 12 K
Ambient diffraction temperature	266 ± 12 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
299557 (current)	2025-05-07	cif/ Adding structures of 7250355 via cif-deposit CGI script.	7250355.cif