Crystallography Open Database

Information card for entry 1555063

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Coordinates	1555063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 F3 O2
Calculated formula	C24 H21 F3 O2
Title of publication	TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes
Authors of publication	Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	18
Pages of publication	3264
a	9.28774 ± 0.00013 Å
b	13.98378 ± 0.00018 Å
c	16.25245 ± 0.00018 Å
α	94.589 ± 0.001°
β	106.279 ± 0.0011°
γ	98.2135 ± 0.0011°
Cell volume	1989.34 ± 0.05 Å³
Cell temperature	100 ± 5 K
Ambient diffraction temperature	100 ± 5 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	0.0393
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238302 (current)	2019-11-24	cif/ Adding structures of 1555062, 1555063, 1555064, 1555065, 1555066, 1555067, 1555068, 1555069, 1555070, 1555071, 1555072, 1555073, 1555074, 1555075, 1555076 via cif-deposit CGI script.	1555063.cif