Crystallography Open Database

Information card for entry 4104130

Preview

Coordinates	4104130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H65 N7 O10
Calculated formula	C50 H65 N7 O10
Title of publication	Total Synthesis of Vinblastine, Vincristine, Related Natural Products, and Key Structural Analogues
Authors of publication	Hayato Ishikawa; David A. Colby; Shigeki Seto; Porino Va; Annie Tam; Hiroyuki Kakei; Thomas J. Rayl; Inkyu Hwang; Dale L. Boger
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4904 - 4916
a	9.4272 ± 0.0019 Å
b	20.353 ± 0.004 Å
c	27.946 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5362 ± 1.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
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	0.1648
Residual factor for significantly intense reflections	0.0997
Weighted residual factors for significantly intense reflections	0.24
Weighted residual factors for all reflections included in the refinement	0.2796
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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