Crystallography Open Database

Information card for entry 7062660

Preview

Coordinates	7062660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H100 O5
Calculated formula	C61 H100 O5
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	7.0481 ± 0.0006 Å
b	25.4221 ± 0.0009 Å
c	30.6301 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	5488.2 ± 0.6 Å³
Cell temperature	200 ± 0.14 K
Ambient diffraction temperature	200 ± 0.14 K
Number of distinct elements	3
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	0.1005
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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