Crystallography Open Database

Information card for entry 1518732

Preview

Coordinates	1518732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.63 H73.25 Cl3.25 N6 O10
Calculated formula	C48.625 H73.25 Cl3.25 N6 O10
Title of publication	Antineoplastic agents. 599. Total synthesis of dolastatin 16.
Authors of publication	Pettit, George R.; Smith, Thomas H.; Arce, Pablo M.; Flahive, Erik J.; Anderson, Collin R.; Chapuis, Jean-Charles; Xu, Jun-Ping; Groy, Thomas L.; Belcher, Paul E.; Macdonald, Christian B.
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	3
Pages of publication	476 - 485
a	10.3987 ± 0.001 Å
b	18.7734 ± 0.0018 Å
c	27.849 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5436.7 ± 0.9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
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	0.0677
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1611
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518732.cif
134821	2015-04-04	cif/ Updating files of 1518732 Original log message: Adding full bibliography for 1518732.cif.	1518732.cif
131961	2015-02-18	cif/ Adding structures of 1518732 via cif-deposit CGI script.	1518732.cif