Crystallography Open Database

Information card for entry 4034787

Preview

Coordinates	4034787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H35 N O5
Calculated formula	C30 H35 N O5
Title of publication	Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.
Authors of publication	Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	10
Pages of publication	5558 - 5576
a	13.3461 ± 0.0002 Å
b	5.1418 ± 0.0001 Å
c	19.3686 ± 0.0002 Å
α	90°
β	97.7303 ± 0.0012°
γ	90°
Cell volume	1317.05 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.038
Weighted residual factors for all reflections	0.1038
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.0125
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
226310 (current)	2019-11-11	cif/ Adding structures of 4034787 via cif-deposit CGI script.	4034787.cif