Crystallography Open Database

Information card for entry 4027645

Preview

Coordinates	4027645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H62 N6 O5 Si
Calculated formula	C51 H62 N6 O5 Si
Title of publication	Total Synthesis of Pactamycin and Pactamycate: A Detailed Account
Authors of publication	Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	9458 - 9472
a	11.312 ± 0.0002 Å
b	18.9201 ± 0.0003 Å
c	22.2551 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4763.13 ± 0.14 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0362
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178455 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/76.	4027645.cif
81730	2013-04-16	cif/ Adding structures of 4027645 via cif-deposit CGI script.	4027645.cif