Crystallography Open Database

Information card for entry 4123357

Preview

Coordinates	4123357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Br N O10
Calculated formula	C30.93 H32.48 Br N O10.25
Title of publication	Organocatalytic enamine-activation of cyclopropanes for highly stereoselective formation of cyclobutanes.
Authors of publication	Halskov, Kim Søholm; Kniep, Florian; Lauridsen, Vibeke Henriette; Iversen, Eva Høgh; Donslund, Bjarke Skyum; Jørgensen, Karl Anker
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	4
Pages of publication	1685 - 1691
a	14.737 ± 0.0016 Å
b	27.527 ± 0.003 Å
c	15.2903 ± 0.0017 Å
α	90°
β	95.821 ± 0.004°
γ	90°
Cell volume	6170.8 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0862
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1664
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179035 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33.	4123357.cif
132871	2015-03-04	cif/ Updating files of 4123357 Original log message: Adding full bibliography for 4123357.cif.	4123357.cif
130576	2015-02-04	cif/ Adding structures of 4123357 via cif-deposit CGI script.	4123357.cif