Crystallography Open Database

Information card for entry 1555438

Preview

Coordinates	1555438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H63 N5 O11
Calculated formula	C44 H63 N5 O11
SMILES	c1c(cc(cc1C(=O)N1CCC[C@]21CCCC[C@@H]2CC[C@H](OC(=O)c1cc(cc(N(=O)=O)c1)N(=O)=O)CCCCCC)N(=O)=O)N(=O)=O.C1CCCCC1.C1CCCCC1.c1c(cc(cc1C(=O)N1CCC[C@@]21CCCC[C@H]2CC[C@@H](OC(=O)c1cc(cc(N(=O)=O)c1)N(=O)=O)CCCCCC)N(=O)=O)N(=O)=O.C1CCCCC1.C1CCCCC1
Title of publication	Synthesis of Lepadiformine Using a Hydroamination Transform.
Authors of publication	Tabor, M. Greg; Shenvi, Ryan A.
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	23
Pages of publication	5776 - 5779
a	19.5349 ± 0.0019 Å
b	6.5541 ± 0.0007 Å
c	34.67 ± 0.004 Å
α	90°
β	95.943 ± 0.005°
γ	90°
Cell volume	4415.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238674 (current)	2019-11-24	cif/ Adding structures of 1555438 via cif-deposit CGI script.	1555438.cif