Crystallography Open Database

Information card for entry 4022312

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Coordinates	4022312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 F6 N2
Calculated formula	C14 H10 F6 N2
Title of publication	Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement
Authors of publication	Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	120 - 129
a	12.442 ± 0.001 Å
b	12.661 ± 0.001 Å
c	8.621 ± 0.006 Å
α	90.118 ± 0.006°
β	99.075 ± 0.005°
γ	94.22 ± 0.003°
Cell volume	1337.3 ± 0.6 Å³
Cell temperature	223.2 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 significantly intense reflections	4
Weighted residual factors for significantly intense reflections	4.4
Goodness-of-fit parameter for significantly intense reflections	1.58
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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