Crystallography Open Database

Information card for entry 7249041

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Coordinates	7249041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H37 N5 O5
Calculated formula	C41 H37 N5 O5
Title of publication	Exploiting spirooxindoles for dual DNA targeting/CDK2 inhibition and simultaneous mitigation of oxidative stress towards selective NSCLC therapy; Synthesis, evaluation, and molecular modelling studies
Authors of publication	Islam, Mohammad Shahidul; Al-Jassas, Refaah Mousa; Al-Majid, Abdullah Mohammed; Haukka, Matti; Nafie, Mohamed S.; Abu-Serie, Marwa M; Teleb, Mohamed; El-Yazbi, Amira Fawzy; Alayyaf, Abdul Majeed Abdullah; Barakat, Assem; Shaaban, Marwa
Journal of publication	RSC Medicinal Chemistry
Year of publication	2024
a	11.1512 ± 0.0004 Å
b	11.4201 ± 0.0005 Å
c	27.4907 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3500.9 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
293378 (current)	2024-07-12	cif/ Adding structures of 7249041 via cif-deposit CGI script.	7249041.cif