Crystallography Open Database

Information card for entry 1555357

Preview

Coordinates	1555357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 F2 O
Calculated formula	C21 H16 F2 O
Title of publication	A Tin(IV) Chloride Promoted Tandem C-O Bond Cleavage/Nazarov Cyclization/Nucleophilic Addition Reaction of 1,1-Disubstituted Allylic Ethers toward the Synthesis of Multisubstituted Indenes.
Authors of publication	Yang, Chao; Xu, Zheng-Liang; Shao, Hui; Mou, Xue-Qing; Wang, Jie; Wang, Shao-Hua
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	21
Pages of publication	5288 - 5291
a	8.2834 ± 0.0012 Å
b	10.8217 ± 0.0016 Å
c	18.382 ± 0.003 Å
α	78.708 ± 0.014°
β	82.706 ± 0.014°
γ	89.789 ± 0.012°
Cell volume	1602.4 ± 0.4 Å³
Cell temperature	293.18 ± 0.1 K
Ambient diffraction temperature	293.18 ± 0.1 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 all reflections	0.1376
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.2409
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation probe	x-ray
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
238545 (current)	2019-11-24	cif/ Adding structures of 1555357 via cif-deposit CGI script.	1555357.cif