Crystallography Open Database

Information card for entry 1504852

Preview

Coordinates	1504852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H42 Br N O3 Si
Calculated formula	C27 H42 Br N O3 Si
Title of publication	Rhodium-catalyzed asymmetric ring-opening alkynylation of azabenzonorbornadienes.
Authors of publication	Nishimura, Takahiro; Tsurumaki, Eiji; Kawamoto, Takahiro; Guo, Xun-Xiang; Hayashi, Tamio
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	18
Pages of publication	4057 - 4060
a	8.548 ± 0.009 Å
b	25.63 ± 0.03 Å
c	27.7 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	6069 ± 12 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1895
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1937
Goodness-of-fit parameter for all reflections included in the refinement	0.851
Diffraction radiation wavelength	0.71075 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.	1504852.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504852.cif
42419	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504852 via cif-deposit CGI script.	1504852.cif