Crystallography Open Database

Information card for entry 7109983

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Coordinates	7109983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 F3 O5
Calculated formula	C21 H19 F3 O5
Title of publication	Ni-Catalyzed [8+3] cycloaddition of tropones with 1,1-cyclopropanediesters
Authors of publication	Ruben Tejero; Alberto Ponce; Javier Adrio; Juan C. Carretero
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	10406
a	8.6119 ± 0.0003 Å
b	9.9168 ± 0.0003 Å
c	12.4569 ± 0.0004 Å
α	70.64 ± 0.002°
β	77.402 ± 0.002°
γ	77.618 ± 0.002°
Cell volume	967.79 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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