Crystallography Open Database

Information card for entry 1503744

Preview

Coordinates	1503744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 N O6
Calculated formula	C32 H29 N O6
Title of publication	One-pot tandem double-aldol reaction/aza-addition of acetylacetamides and o-phthalaldehyde leading to spiroindan-2,2'-pyrrolidines.
Authors of publication	Cheng, Xin; Liang, Fushun; Shi, Fan; Zhang, Lei; Liu, Qun
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	1
Pages of publication	93 - 96
a	20.435 ± 0.0013 Å
b	20.435 Å
c	28.385 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	11853.3 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1066
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1783
Weighted residual factors for all reflections included in the refinement	0.2001
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1503744.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503744.cif
39039	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503743, 1503744 via cif-deposit CGI script.	1503744.cif