Crystallography Open Database

Information card for entry 7153762

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Coordinates	7153762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H57 N O15
Calculated formula	C43 H53 N O14
Title of publication	Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.
Authors of publication	Nicolaou, Kyriacos C.; Valiulin, Roman A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	25
Pages of publication	4154 - 4163
a	16.388 ± 0.008 Å
b	10.033 ± 0.005 Å
c	28.031 ± 0.014 Å
α	90°
β	92.717 ± 0.006°
γ	90°
Cell volume	4604 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.3611
Residual factor for significantly intense reflections	0.1245
Weighted residual factors for significantly intense reflections	0.2904
Weighted residual factors for all reflections included in the refinement	0.3775
Goodness-of-fit parameter for all reflections included in the refinement	1.167
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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