Crystallography Open Database

Information card for entry 4031026

Preview

Coordinates	4031026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 O2 Si
Calculated formula	C24 H34 O2 Si
SMILES	[Si](OC1=C[C@H]([C@]2(C(=C)[C@H](c3ccccc3)[C@@H](C1)C2=O)C)C)(C)(C)C(C)(C)C.[Si](OC1=C[C@@H]([C@@]2(C(=C)[C@@H](c3ccccc3)[C@H](C1)C2=O)C)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	8.0594 ± 0.0003 Å
b	11.3396 ± 0.0005 Å
c	13.1503 ± 0.0004 Å
α	92.0232 ± 0.0014°
β	103.648 ± 0.0015°
γ	102.583 ± 0.002°
Cell volume	1135.05 ± 0.08 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.7107 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.	4031026.cif
140173	2015-07-05	cif/ Updating files of 4031025, 4031026 Original log message: Adding full bibliography for 4031025--4031026.cif.	4031026.cif
137289	2015-05-24	cif/ Adding structures of 4031026 via cif-deposit CGI script.	4031026.cif