Crystallography Open Database

Information card for entry 4115224

Preview

Coordinates	4115224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 Br N O4
Calculated formula	C19 H19 Br N O4
Title of publication	Synthesis of (-)-Morphine
Authors of publication	Douglass F. Taber; Timothy D. Neubert; Arnold L. Rheingold
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	12416 - 12417
a	14.771 ± 0.003 Å
b	5.0353 ± 0.0008 Å
c	26.11 ± 0.004 Å
α	90°
β	98.8 ± 0.005°
γ	90°
Cell volume	1919.1 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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
178923 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/52.	4115224.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115224.cif
68667	2012-11-14	cif/ Adding structures of 4115224 via cif-deposit CGI script.	4115224.cif