Crystallography Open Database

Information card for entry 4020646

4020645 << 4020646 >> 4020647

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Coordinates	4020646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 F3 N3 O3 S
Calculated formula	C24 H38 F3 N3 O3 S
SMILES	S(=O)(C(C)(C)C)N[C@@H](C(C)C)c1cc(C(F)(F)F)ccc1N1CCN(CC1)C(=O)OC(C)(C)C
Title of publication	Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines
Authors of publication	Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	8924 - 8931
a	9.7343 ± 0.0008 Å
b	11.863 ± 0.001 Å
c	12.4542 ± 0.0011 Å
α	76.418 ± 0.002°
β	75.299 ± 0.002°
γ	85.731 ± 0.003°
Cell volume	1352 ± 0.2 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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