Crystallography Open Database

Information card for entry 1100242

Preview

Coordinates	1100242.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-Phenyl-2-benzylthiobutanamide
Formula	C17 H19 N S
Calculated formula	C17.5 H22 N S
Title of publication	Asymmetric Synthesis of a Chiral Secondary Grignard Reagent
Authors of publication	Hoffmann, Reinhard W.; Hölzer, Bettina; Knopff, Oliver; Harms, Klaus
Journal of publication	Angewandte Chemie, International Edition
Year of publication	2000
Journal volume	39
Journal issue	17
Pages of publication	3072 - 3074
a	9.56 ± 0.005 Å
b	18.546 ± 0.007 Å
c	9.671 ± 0.003 Å
α	90°
β	119 ± 0.03°
γ	90°
Cell volume	1499.68 Å³
Ambient diffraction temperature	213 K
Number of distinct elements	4
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	5.82
Weighted residual factors for significantly intense reflections	5.82
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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