Crystallography Open Database

Information card for entry 7213307

Preview

Coordinates	7213307.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	vinblastine sulfate
Formula	C46 H58 N4 O32 S
Calculated formula	C46 H58 N4 O32 S
Title of publication	Crystal structure of vinblastine
Authors of publication	Bau, Robert; Jin, Kevin Kai
Journal of publication	Journal of the Chemical Society, Perkin Transactions 1
Year of publication	2000
Journal issue	13
Pages of publication	2079
a	13.724 ± 0.003 Å
b	14.03 ± 0.004 Å
c	17.657 ± 0.005 Å
α	90°
β	110.19 ± 0.02°
γ	90°
Cell volume	3190.9 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for all reflections	0.1515
Weighted residual factors for significantly intense reflections	0.1425
Goodness-of-fit parameter for all reflections	0.584
Goodness-of-fit parameter for significantly intense reflections	0.606
Diffraction radiation wavelength	0.70926 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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