Crystallography Open Database

Information card for entry 4024746

Preview

Coordinates	4024746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 Br2 N5 O3 Si
Calculated formula	C25 H28 Br2 N5 O3 Si
Title of publication	Exploring Symmetry-Based Logic for a Synthesis of Palau'amine
Authors of publication	Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	5909 - 5919
a	14.476 ± 0.012 Å
b	14.203 ± 0.012 Å
c	14.986 ± 0.013 Å
α	90°
β	113.122 ± 0.037°
γ	90°
Cell volume	2833.7 ± 4.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1206
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.2129
Weighted residual factors for all reflections included in the refinement	0.2384
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4024746.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4024746.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4024746.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4024746.cif
948	2010-01-19	cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition.	4024746.cif