Crystallography Open Database

Information card for entry 1555051

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Structure parameters

Formula	C36 H55 N O7 Si2
Calculated formula	C36 H55 N O7 Si2
SMILES	C1(=O)C2=C(C3=C([C@H](CC[C@]3(CC[C@@]2(CC1)C)C)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)OC(=O)c1ccc(cc1)N(=O)=O.C1(=O)C2=C(C3=C([C@@H](CC[C@@]3(CC[C@]2(CC1)C)C)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)OC(=O)c1ccc(cc1)N(=O)=O
Title of publication	Stereoselective Total Syntheses of Guanacastepenes N and O.
Authors of publication	Peng, Shao-Zheng; Sha, Chin-Kang
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3486 - 3489
a	8.9128 ± 0.0003 Å
b	10.9914 ± 0.0003 Å
c	20.184 ± 0.0006 Å
α	91.339 ± 0.001°
β	96.624 ± 0.001°
γ	104.357 ± 0.001°
Cell volume	1899.99 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1555051.cif
238295	2019-11-24	cif/ Adding structures of 1555051 via cif-deposit CGI script.	1555051.cif