Crystallography Open Database

Information card for entry 1503626

Preview

Coordinates	1503626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 F3 N O3
Calculated formula	C10 H16 F3 N O3
SMILES	FC(F)(F)C(O)(O)C[C@@H](C(=O)N1CCCC1)C
Title of publication	A Peptide-embedded trifluoromethyl ketone catalyst for enantioselective epoxidation.
Authors of publication	Romney, David K.; Miller, Scott J.
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	4
Pages of publication	1138 - 1141
a	9.28387 ± 0.00017 Å
b	10.7517 ± 0.00019 Å
c	11.9589 ± 0.0008 Å
α	90°
β	94.002 ± 0.007°
γ	90°
Cell volume	1190.8 ± 0.09 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for all reflections included in the refinement	0.0539
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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