Crystallography Open Database

Information card for entry 1513360

Preview

Coordinates	1513360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H48 N4 O9
Calculated formula	C19 H24 N2 O4.5
SMILES	C1(=O)[C@H]2[C@@]3(CC(=O)N4CCC[C@@](C2)(CC)[C@]34O)c2ccccc2N1.O.O
Title of publication	Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.
Authors of publication	Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	2
Pages of publication	327 - 338
a	10.1848 ± 0.0002 Å
b	10.362 ± 0.0002 Å
c	10.3848 ± 0.0002 Å
α	71.742 ± 0.001°
β	67.38 ± 0.001°
γ	60.647 ± 0.001°
Cell volume	871.11 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	2.562
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1513360.cif
104235	2014-03-10	cif/ Adding structures of 1513360 via cif-deposit CGI script.	1513360.cif