Crystallography Open Database

Information card for entry 4036461

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Structure parameters

Formula	C24 H38 N2 O4 Si
Calculated formula	C24 H38 N2 O4 Si
SMILES	[Si](OC[C@@H]1C(=O)[C@H]([C@@]2(C(=O)Nc3c2ccc(N)c3)[C@H]1CO)C)(C(C)C)(C(C)C)C(C)C.[Si](OC[C@H]1C(=O)[C@@H]([C@]2(C(=O)Nc3c2ccc(N)c3)[C@@H]1CO)C)(C(C)C)(C(C)C)C(C)C
Title of publication	Access to the Surugatoxin Alkaloids: Chemo-, Regio-, and Stereoselective Oxindole Annulation.
Authors of publication	Hinze, Meagan E.; Daughtry, Jessica L.; Lewis, Chad A.
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	22
Pages of publication	11258 - 11265
a	22.8455 ± 0.0005 Å
b	17.7889 ± 0.0003 Å
c	12.171 ± 0.0003 Å
α	90°
β	93.475 ± 0.001°
γ	90°
Cell volume	4937.16 ± 0.18 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4036461.cif
234723	2019-11-23	cif/ Adding structures of 4036461 via cif-deposit CGI script.	4036461.cif