Crystallography Open Database

Information card for entry 4132166

Preview

Coordinates	4132166.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	nv723
Formula	C20 H22 N2 O5
Calculated formula	C20 H22 N2 O5
SMILES	O1C(=O)N[C@]2(C1)[C@]13N(C(=O)C[C@@]1(CC2)c1c(OC)c(OC)ccc1C=C3)C.O1C(=O)N[C@@]2(C1)[C@@]13N(C(=O)C[C@]1(CC2)c1c(OC)c(OC)ccc1C=C3)C
Title of publication	Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.
Authors of publication	Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	28
Pages of publication	8675 - 8680
a	8.2294 ± 0.001 Å
b	18.282 ± 0.002 Å
c	22.361 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3364.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0575
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1303
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
242196 (current)	2019-11-26	cif/ Adding structures of 4132153, 4132154, 4132155, 4132156, 4132157, 4132158, 4132159, 4132160, 4132161, 4132162, 4132163, 4132164, 4132165, 4132166, 4132167, 4132168 via cif-deposit CGI script.	4132166.cif