Crystallography Open Database

Information card for entry 4027637

Preview

Coordinates	4027637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Br N O7 Si
Calculated formula	C40 H42 Br N O7 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	26.146 ± 0.002 Å
b	26.146 ± 0.002 Å
c	9.7191 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	5754 ± 0.8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.1643
Residual factor for significantly intense reflections	0.1036
Weighted residual factors for significantly intense reflections	0.2734
Weighted residual factors for all reflections included in the refinement	0.2959
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	4027637.cif
81722	2013-04-16	cif/ Adding structures of 4027637 via cif-deposit CGI script.	4027637.cif