Crystallography Open Database

Information card for entry 1542904

Preview

Coordinates	1542904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H37 N O6
Calculated formula	C24 H37 N O6
SMILES	O[C@]12[C@]3(CCC[C@@]42[C@H](N(C3)CC)[C@]2(CC1)[C@@H]1[C@H]4CC[C@]1(O)O[C@@H](CO)C2)C(=O)OCC.O[C@@]12[C@@]3(CCC[C@]42[C@@H](N(C3)CC)[C@@]2(CC1)[C@H]1[C@@H]4CC[C@@]1(O)O[C@H](CO)C2)C(=O)OCC
Title of publication	Expeditious synthesis of the fused hexacycle of puberuline C via a radical-based cyclization/translocation/cyclization process
Authors of publication	Hagiwara, Koichi; Tabuchi, Toshiki; Urabe, Daisuke; Inoue, Masayuki
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	7
Pages of publication	4372
a	8.0327 ± 0.0002 Å
b	9.3726 ± 0.0002 Å
c	16.1657 ± 0.0003 Å
α	77.401 ± 0.0013°
β	85.464 ± 0.0014°
γ	69.356 ± 0.0014°
Cell volume	1111.49 ± 0.04 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.278
Diffraction radiation wavelength	1.54178 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185106 (current)	2016-08-07	cif/ Updating files of 1542904 Original log message: Adding full bibliography for 1542904.cif.	1542904.cif
178357	2016-03-19	cif/ Adding structures of 1542904 via cif-deposit CGI script.	1542904.cif