Crystallography Open Database

Information card for entry 4114273

Preview

Coordinates	4114273.cif
Original paper (by DOI)	HTML
External links	ChemSpider; PubChem

Structure parameters

Formula	C25 H23 N O2
Calculated formula	C25 H23 N O2
SMILES	c1(cccc2cccc(c12)NC(=O)C(C)(C)C)c1c(O)ccc2ccccc12
Title of publication	Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases
Authors of publication	Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	12860 - 12871
a	7.75 ± 0.0002 Å
b	9.632 ± 0.0002 Å
c	13.403 ± 0.0003 Å
α	90°
β	102.561 ± 0.0015°
γ	90°
Cell volume	976.56 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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 all reflections	0.0384
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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