Crystallography Open Database

Information card for entry 7225992

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Coordinates	7225992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 Br F2 O2
Calculated formula	C26 H25 Br F2 O2
Title of publication	Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids
Authors of publication	Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	36
Pages of publication	6830
a	7.3624 ± 0.0001 Å
b	16.7118 ± 0.0003 Å
c	20.7142 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2548.65 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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