Crystallography Open Database

Information card for entry 4115318

Preview

Coordinates	4115318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H30 O4
Calculated formula	C19 H30 O4
SMILES	O1CC[C@H](O[C@@]21C[C@@H](CC[C@H]2C(C)C)C)C[C@@H]1OC=CC(=O)C1
Title of publication	The Practical Synthesis of a Novel and Highly Potent Analogue of Bryostatin
Authors of publication	Paul A. Wender; Jeremy L. Baryza; Chad E. Bennett; F. Christopher Bi; Stacey E. Brenner; Michael O. Clarke; Joshua C. Horan; Cindy Kan; Emmanuel Lacôte; Blaise Lippa; Peter G. Nell; Tim M. Turner
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	13648 - 13649
a	9.415 ± 0 Å
b	9.415 ± 0 Å
c	20.513 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1818.32 ± 0.09 Å³
Cell temperature	273.1 K
Number of distinct elements	3
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	0.823
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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