Crystallography Open Database

Information card for entry 7154235

Preview

Coordinates	7154235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 Br N2 O4
Calculated formula	C25 H29 Br N2 O4
Title of publication	Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.
Authors of publication	Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	7
Pages of publication	2092 - 2099
a	7.8797 ± 0.0017 Å
b	12.465 ± 0.003 Å
c	25.404 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2495.2 ± 0.9 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 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	0.0794
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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