Crystallography Open Database

Information card for entry 4106156

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Structure parameters

Common name	Ryan
Formula	C26 H39 N O7
Calculated formula	C26 H39 N O7
SMILES	O1[C@@H]2[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@]1(O)CC[C@H]3[C@H]([C@]21C)C(=O)C[C@@]1([C@@H]3CCC21OCCO2)C
Title of publication	Scalable Synthesis of Cortistatin A and Related Structures
Authors of publication	Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	8014 - 8027
a	12.015 ± 0.002 Å
b	12.534 ± 0.002 Å
c	16.724 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2518.6 ± 0.7 Å³
Cell temperature	205 ± 2 K
Ambient diffraction temperature	205 ± 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	0.1123
Residual factor for significantly intense reflections	0.0997
Weighted residual factors for significantly intense reflections	0.2211
Weighted residual factors for all reflections included in the refinement	0.2278
Goodness-of-fit parameter for all reflections included in the refinement	1.257
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4106156.cif
178807	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/61.	4106156.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106156.cif
52947	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106156 via cif-deposit CGI script.	4106156.cif