Crystallography Open Database

Information card for entry 1504751

Preview

Coordinates	1504751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 N O3
Calculated formula	C18 H21 N O3
SMILES	O1COc2cc3c(cc12)[C@H]1[C@@]2(N(CC3)CCC2)C[C@H]2[C@]1(C)O2
Title of publication	A formal synthesis of (-)-cephalotaxine.
Authors of publication	Esmieu, William R.; Worden, Stephen M.; Catterick, David; Wilson, Claire; Hayes, Christopher J.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	14
Pages of publication	3045 - 3048
a	7.6125 ± 0.0007 Å
b	8.1308 ± 0.0007 Å
c	12.5485 ± 0.0011 Å
α	90°
β	105.841 ± 0.002°
γ	90°
Cell volume	747.2 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0345
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	1504751.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504751.cif
42336	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504750, 1504751 via cif-deposit CGI script.	1504751.cif