Crystallography Open Database

Information card for entry 4033447

Preview

Coordinates	4033447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 O2 Si
Calculated formula	C28 H34 O2 Si
SMILES	c1ccccc1[Si](c1ccccc1)(C(C)(C)C)OC[C@]1([C@H](C[C@H]2C=CC(=O)[C@@H]12)C=C)C.c1ccccc1[Si](c1ccccc1)(C(C)(C)C)OC[C@@]1([C@@H](C[C@@H]2C=CC(=O)[C@H]12)C=C)C
Title of publication	Exploration of Ring Rearrangement Metathesis Reaction: A General and Flexible Approach for the Rapid Construction [5,n]-Fused Bicyclic Systems en Route to Linear Triquinanes.
Authors of publication	Acharyya, Ranjan Kumar; Rej, Rohan Kalyan; Nanda, Samik
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	4
Pages of publication	2087 - 2103
a	9.831 ± 0.005 Å
b	9.914 ± 0.005 Å
c	13.521 ± 0.005 Å
α	97.504 ± 0.005°
β	96.367 ± 0.005°
γ	103.575 ± 0.005°
Cell volume	1256.3 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0616
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
227544 (current)	2019-11-12	cif/ Updating files of 4033447, 4033448 Original log message: Adding full bibliography for 4033447--4033448.cif.	4033447.cif
205679	2018-01-26	cif/ Adding structures of 4033447 via cif-deposit CGI script.	4033447.cif