Crystallography Open Database

Information card for entry 1504896

Preview

Coordinates	1504896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21.18 N O8.09
Calculated formula	C19 H21 N O8.0865
Title of publication	A chemoenzymatic total synthesis of the structure assigned to the alkaloid (+)-montabuphine.
Authors of publication	Matveenko, Maria; Banwell, Martin G.; Willis, Anthony C.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	20
Pages of publication	4693 - 4696
a	8.5486 ± 0.0001 Å
b	16.0954 ± 0.0003 Å
c	12.7901 ± 0.0002 Å
α	90°
β	92.8111 ± 0.0012°
γ	90°
Cell volume	1757.71 ± 0.05 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for all reflections	0.0675
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	0.9413
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.	1504896.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504896.cif
42442	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504895, 1504896 via cif-deposit CGI script.	1504896.cif