Crystallography Open Database

Information card for entry 1504906

Preview

Coordinates	1504906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N5 O9
Calculated formula	C24 H27 N5 O9
Title of publication	A highly stereoselective organocatalytic tandem aminoxylation/aza-Michael reaction for the synthesis of tetrahydro-1,2-oxazines.
Authors of publication	Zhu, Di; Lu, Min; Chua, Pei Juan; Tan, Bin; Wang, Fei; Yang, Xinhao; Zhong, Guofu
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	20
Pages of publication	4585 - 4588
a	10.8521 ± 0.0004 Å
b	11.1482 ± 0.0004 Å
c	21.2318 ± 0.0007 Å
α	82.573 ± 0.002°
β	86.637 ± 0.002°
γ	82.618 ± 0.002°
Cell volume	2523.68 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1157
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1874
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504906.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504906.cif
42451	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504906 via cif-deposit CGI script.	1504906.cif