Crystallography Open Database

Information card for entry 1507413

Preview

Coordinates	1507413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 O8
Calculated formula	C26 H34 O8
Title of publication	Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition.
Authors of publication	White, James D.; Wang, Guoqiang; Quaranta, Laura
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	26
Pages of publication	4983 - 4986
a	9.6272 ± 0.0009 Å
b	8.7501 ± 0.0006 Å
c	30.305 ± 0.002 Å
α	90°
β	90.34 ± 0.01°
γ	90°
Cell volume	2552.8 ± 0.3 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1507413.cif
131991	2015-02-18	cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '&#x0000%' repetitions from 38 CIFs in 1/50/.	1507413.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507413.cif
53903	2012-04-20	cif/ Adding structures of 1507413 via cif-deposit CGI script.	1507413.cif