Crystallography Open Database

Information card for entry 7062661

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Coordinates	7062661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H59 N O
Calculated formula	C35 H59 N O
Title of publication	New betulin imine derivatives with antioxidant and selective antitumor activity
Authors of publication	Iftime, Manuela-Maria; Ailiesei, Gabriela Liliana; Shova, Sergiu; Miron, Camelia; Tanaka, Hiromasa; Hori, Masaru; Marin, Luminita
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	35
Pages of publication	16551 - 16563
a	37.284 ± 0.0016 Å
b	12.3609 ± 0.0005 Å
c	6.9822 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3217.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1346
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.1964
Weighted residual factors for all reflections included in the refinement	0.2361
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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