Crystallography Open Database

Information card for entry 4031025

Preview

Coordinates	4031025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 O2 Si
Calculated formula	C26 H38 O2 Si
SMILES	[Si](OC1=CC[C@@]2(C(=C)[C@H]([C@H]([C@@H]1C(C)C)C2=O)c1ccccc1)C)(C)(C)C(C)(C)C.[Si](OC1=CC[C@]2(C(=C)[C@@H]([C@@H]([C@H]1C(C)C)C2=O)c1ccccc1)C)(C)(C)C(C)(C)C
Title of publication	Nazarov reactions intercepted by (4 + 3) cycloadditions with oxygen-substituted dienes.
Authors of publication	LeFort, François M; Mishra, Vinayak; Dexter, Graham D.; Morgan, Timothy D. R.; Burnell, D. Jean
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	11
Pages of publication	5877 - 5886
a	10.3117 ± 0.0005 Å
b	11.9449 ± 0.0007 Å
c	20.2093 ± 0.0013 Å
α	90°
β	97.899 ± 0.003°
γ	90°
Cell volume	2465.6 ± 0.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4031025.cif
140173	2015-07-05	cif/ Updating files of 4031025, 4031026 Original log message: Adding full bibliography for 4031025--4031026.cif.	4031025.cif
137288	2015-05-24	cif/ Adding structures of 4031025 via cif-deposit CGI script.	4031025.cif