Crystallography Open Database

Information card for entry 4505629

Preview

Coordinates	4505629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26.33 Cl3.67 N4 O9
Calculated formula	C29 H26.33 Cl3.67 N4 O9
Title of publication	Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides.
Authors of publication	Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T.
Journal of publication	ACS combinatorial science
Year of publication	2012
Journal volume	14
Journal issue	3
Pages of publication	218 - 223
a	7.7789 ± 0.0008 Å
b	13.1511 ± 0.0013 Å
c	16.1282 ± 0.0016 Å
α	76.669 ± 0.001°
β	84.6 ± 0.001°
γ	77.944 ± 0.001°
Cell volume	1568.2 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179591 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/56.	4505629.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505629.cif
51859	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505629 via cif-deposit CGI script.	4505629.cif