Crystallography Open Database

Information card for entry 2312162

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Structure parameters

Chemical name	Methyl (<i>E</i>)-3-{(1<i>R</i>,4<i>S</i>)-8-hydroxy-6-methoxy-4,7-dimethyl-5-[(triisopropylsilyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl}acrylate
Formula	C26 H42 O5 Si
Calculated formula	C26 H42 O5 Si
SMILES	[Si](Oc1c(OC)c(c(O)c2[C@H](CC[C@@H](c12)C)/C=C/C(=O)OC)C)(C(C)C)(C(C)C)C(C)C
Title of publication	Crystal structures of two 1,2,3,4-tetra-hydro-naphthalenes obtained during efforts towards the total synthesis of elisabethin A.
Authors of publication	Kaiser, Maximilian; Weil, Matthias; Gärtner, Peter; Enev, Valentin
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 3
Pages of publication	177 - 181
a	12.0078 ± 0.0007 Å
b	9.262 ± 0.0006 Å
c	12.1411 ± 0.0008 Å
α	90°
β	104.091 ± 0.0014°
γ	90°
Cell volume	1309.66 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
285620 (current)	2023-08-11	cif/ hkl/ Adding structures of 2312161, 2312162 via cif-deposit CGI script.	2312162.cif 2312162.hkl