Crystallography Open Database

Information card for entry 4034786

Preview

Coordinates	4034786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30.11 N O7.55
Calculated formula	C24 H30.106 N O7.553
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	5.8947 ± 0.0001 Å
b	11.9409 ± 0.0001 Å
c	32.5277 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2289.56 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0297
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for all reflections	0.073
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.0012
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
226309 (current)	2019-11-11	cif/ Adding structures of 4034786 via cif-deposit CGI script.	4034786.cif