Crystallography Open Database

Information card for entry 1511949

1511948 << 1511949 >> 1511950

Preview

Coordinates	1511949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 O5
Calculated formula	C24 H36 O5
SMILES	O=C(OC)[C@H]1[C@H]2C(CCC[C@@]2(c2c1c(OC)c(c(OC)c2OC)C(C)C)C)(C)C.O=C(OC)[C@@H]1[C@@H]2C(CCC[C@]2(c2c1c(OC)c(c(OC)c2OC)C(C)C)C)(C)C
Title of publication	Divergent total synthesis of taiwaniaquinones a and f and taiwaniaquinols B and d.
Authors of publication	Deng, Jun; Li, Ruofan; Luo, Yijie; Li, Jian; Zhou, Shupeng; Li, Yongjian; Hu, Jingyu; Li, Ang
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	8
Pages of publication	2022 - 2025
a	9.975 ± 0.003 Å
b	11.588 ± 0.004 Å
c	11.86 ± 0.004 Å
α	63.519 ± 0.006°
β	87.965 ± 0.007°
γ	70.57 ± 0.006°
Cell volume	1146.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1014
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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.	1511949.cif
85836	2013-05-07	cif/ Adding structures of 1511949 via cif-deposit CGI script.	1511949.cif