Crystallography Open Database

Information card for entry 1515413

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Coordinates	1515413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H59 Cl3 N4 O8 Si
Calculated formula	C47 H59 Cl3 N4 O8 Si
Title of publication	Total synthesis of diazonamide A.
Authors of publication	Knowles, Robert R.; Carpenter, Joseph; Blakey, Simon B.; Kayano, Akio; Mangion, Ian K.; Sinz, Christopher J.; Macmillan, David W. C.
Journal of publication	Chemical science (Royal Society of Chemistry : 2010)
Year of publication	2011
Journal volume	2011
Journal issue	2
Pages of publication	308 - 311
a	19.546 ± 0.004 Å
b	17.36 ± 0.004 Å
c	19.889 ± 0.004 Å
α	90°
β	105.63 ± 0.03°
γ	90°
Cell volume	6499 ± 3 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1515
Residual factor for significantly intense reflections	0.1136
Weighted residual factors for significantly intense reflections	0.2908
Weighted residual factors for all reflections included in the refinement	0.3174
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1515413.cif
111803	2014-04-28	cif/ Adding structures of 1515413 via cif-deposit CGI script.	1515413.cif