Crystallography Open Database

Information card for entry 4025799

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Structure parameters

Formula	C19 H30 F N O7 S2
Calculated formula	C19 H30 F N O7 S2
SMILES	S1CCSC1([C@@](F)(C(=O)OCC)C[C@H](N(C(=O)C)C(=O)OC(C)(C)C)C(=O)OC)C
Title of publication	A Facile and Stereocontrolled Synthesis of γ-Substituted γ-Fluoroglutamates by Conjugate Addition: Conflicting Effect between Fluorinated Enaminoester and Hinderered Michael Acceptor
Authors of publication	Emmanuelle Drège; Anaïs Guillaume; Nadjia Boukhedimi; Jérôme Marrot; Claire Troufflard; Marie-Elise Tran Huu-Dau; Delphine Joseph; Sandrine Delarue-Cochin
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	7596 - 7604
a	10.6747 ± 0.0003 Å
b	9.6224 ± 0.0003 Å
c	11.8546 ± 0.0004 Å
α	90°
β	110.4 ± 0.002°
γ	90°
Cell volume	1141.29 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1174
Residual factor for significantly intense reflections	0.1021
Weighted residual factors for significantly intense reflections	0.2312
Weighted residual factors for all reflections included in the refinement	0.2498
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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