Crystallography Open Database

Information card for entry 7053110

Preview

Coordinates	7053110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.75 H40 N O11.75 S
Calculated formula	C31 H33 N O10 S
Title of publication	Different salt derivatives of phenanthroindolizidine alkaloids display different in vitro antitumor activity
Authors of publication	Wu, Meng; Wang, Zi-Wen; Liu, Yu-Xiu; Song, Hai-Bin; Zhang, Ao; Meng, Ling-Hua; Wang, Qing-Min
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	6
Pages of publication	1817
a	17.749 ± 0.007 Å
b	16.668 ± 0.006 Å
c	21.755 ± 0.008 Å
α	90°
β	94.496 ± 0.008°
γ	90°
Cell volume	6416 ± 4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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