Crystallography Open Database

Information card for entry 1555004

Preview

Coordinates	1555004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 F N O2
Calculated formula	C28 H32 F N O2
SMILES	F[C@@H](c1ccccc1)[C@H](N([C@@H](c1ccccc1)C)Cc1ccccc1)C(=O)OC(C)(C)C
Title of publication	Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.
Authors of publication	Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	9
Pages of publication	2254 - 2257
a	8.03153 ± 0.00018 Å
b	10.686 ± 0.0002 Å
c	28.3689 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2434.76 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for all reflections	0.0801
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.0054
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238268 (current)	2019-11-24	cif/ Adding structures of 1555003, 1555004, 1555005, 1555006, 1555007, 1555008 via cif-deposit CGI script.	1555004.cif