Crystallography Open Database

Information card for entry 1508630

Preview

Coordinates	1508630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H50 Cl2 N4 O10
Calculated formula	C43 H50 Cl2 N4 O10
Title of publication	Total synthesis of (±)-hirsutine: application of phosphine-catalyzed imine-allene [4 + 2] annulation.
Authors of publication	Villa, Reymundo A.; Xu, Qihai; Kwon, Ohyun
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	17
Pages of publication	4634 - 4637
a	28.956 ± 0.003 Å
b	12.8042 ± 0.0011 Å
c	11.6536 ± 0.001 Å
α	90°
β	100.281 ± 0.001°
γ	90°
Cell volume	4251.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	1508630.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508630.cif
72120	2013-01-21	cif/ Adding structures of 1508630 via cif-deposit CGI script.	1508630.cif