Crystallography Open Database

Information card for entry 1555354

Preview

Coordinates	1555354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 N2 O
Calculated formula	C18 H32 N2 O
SMILES	O=C(N1CCC[C@H]2[C@@H]1C[C@@H](C[C@H]2C[C@H]1NCCCC1)C)C
Title of publication	Approach to cis-Phlegmarine Alkaloids via Stereodivergent Reduction: Total Synthesis of (+)-Serratezomine E and Putative Structure of (-)-Huperzine N.
Authors of publication	Bosch, Caroline; Fiser, Béla; Gómez-Bengoa, Enrique; Bradshaw, Ben; Bonjoch, Josep
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	20
Pages of publication	5084 - 5087
a	5.287 ± 0.0002 Å
b	9.4826 ± 0.0003 Å
c	34.033 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1706.23 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238539 (current)	2019-11-24	cif/ Adding structures of 1555354 via cif-deposit CGI script.	1555354.cif