Crystallography Open Database

Information card for entry 1511970

1511969 << 1511970 >> 1511971

Preview

Coordinates	1511970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Br N O8
Calculated formula	C22 H20 Br N O8
SMILES	Brc1ccc(cc1)[C@@H]1[C@H]2[C@@H]([C@H](C(=O)OC)N1)[C@@]1(C=CC2=O)C(=C(C(=O)O1)OC)C(=O)OC
Title of publication	Silver-Catalyzed Enantioselective Desymmetrization: Facile Access to Spirolactone-Pyrrolidines Containing a Spiro Quaternary Stereogenic Center
Authors of publication	Liu, Kang; Teng, Huai-Long; Yao, Lu; Tao, Hai-Yan; Wang, Chun-Jiang
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	9
Pages of publication	2250
a	9.065 ± 0.004 Å
b	9.097 ± 0.003 Å
c	13.423 ± 0.005 Å
α	90°
β	90.573 ± 0.015°
γ	90°
Cell volume	1106.9 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1712
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 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.	1511970.cif
85851	2013-05-07	cif/ Adding structures of 1511970 via cif-deposit CGI script.	1511970.cif