Crystallography Open Database

Information card for entry 1511925

1511924 << 1511925 >> 1511926

Preview

Coordinates	1511925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 O3
Calculated formula	C17 H26 O3
SMILES	O=C1[C@H]2[C@@H]3OC(O[C@@H]3[C@@](C1)([C@@H]1[C@H]2CC(C1)(C)C)C)(C)C
Title of publication	A chemoenzymatic total synthesis of the protoilludane aryl ester (+)-armillarivin.
Authors of publication	Schwartz, Brett D.; Matoušová, Eliška; White, Richard; Banwell, Martin G.; Willis, Anthony C.
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	8
Pages of publication	1934 - 1937
a	9.402 ± 0.0002 Å
b	8.096 ± 0.0002 Å
c	10.9386 ± 0.0002 Å
α	90°
β	108.285 ± 0.0013°
γ	90°
Cell volume	790.59 ± 0.03 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0396
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for all reflections	0.0947
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	0.9428
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
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.	1511925.cif
85814	2013-05-07	cif/ Adding structures of 1511925 via cif-deposit CGI script.	1511925.cif