Crystallography Open Database

Information card for entry 1502897

Preview

Coordinates	1502897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 N O3
Calculated formula	C15 H17 N O3
SMILES	n1cccc2[C@@]3(C(=O)C[C@H](C[C@@H]3Cc12)C)C(=O)OC.n1cccc2[C@]3(C(=O)C[C@@H](C[C@H]3Cc12)C)C(=O)OC
Title of publication	Concise total synthesis of (+/-)-lycopladine A.
Authors of publication	DeLorbe, John E.; Lotz, Monica D.; Martin, Stephen F.
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	7
Pages of publication	1576 - 1579
a	9.572 ± 0.0006 Å
b	13.652 ± 0.0008 Å
c	19.809 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2588.6 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.7107 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.	1502897.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502897.cif
36849	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502897 via cif-deposit CGI script.	1502897.cif