Crystallography Open Database

Information card for entry 1507995

Preview

Coordinates	1507995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 O4
Calculated formula	C30 H38 O4
SMILES	O=C1[C@@]2(C([C@H](C[C@]1(C(=O)C(=C2OC)C(=O)c1ccccc1)CC=C(C)C)CC=C(C)C)(C)C)C.O=C1[C@]2(C([C@@H](C[C@@]1(C(=O)C(=C2OC)C(=O)c1ccccc1)CC=C(C)C)CC=C(C)C)(C)C)C
Title of publication	The total synthesis of hyperpapuanone, hyperibone L, epi-clusianone and oblongifolin A.
Authors of publication	Biber, Nicole; Möws, Katrin; Plietker, Bernd
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	12
Pages of publication	938 - 942
a	14.2028 ± 0.0018 Å
b	8.4774 ± 0.0009 Å
c	22.6154 ± 0.0016 Å
α	90°
β	107.307 ± 0.008°
γ	90°
Cell volume	2599.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1633
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.1543
Weighted residual factors for all reflections included in the refinement	0.2036
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
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.	1507995.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507995.cif
62541	2012-07-09	cif/ Adding structures of 1507995 via cif-deposit CGI script.	1507995.cif