Crystallography Open Database

Information card for entry 1517269

Preview

Coordinates	1517269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 O3
Calculated formula	C16 H24 O3
SMILES	O1C2(OCC1)C[C@@H]1[C@]([C@@H](C2)C)([C@@H]2[C@H](C1=O)C2(C)C)C.O1C2(OCC1)C[C@H]1[C@@]([C@H](C2)C)([C@H]2[C@@H](C1=O)C2(C)C)C
Title of publication	Total synthesis of (±)-nardoaristolone B and its analogues.
Authors of publication	Handore, Kishor L.; Reddy, D. Srinivasa
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	16
Pages of publication	4252 - 4255
a	6.6062 ± 0.0003 Å
b	9.7077 ± 0.0004 Å
c	11.6325 ± 0.0005 Å
α	95.271 ± 0.002°
β	103.669 ± 0.002°
γ	93.602 ± 0.002°
Cell volume	719.05 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0538
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	1517269.cif
123119	2014-09-06	cif/ Updating files of 1517269 Original log message: Adding full bibliography for 1517269.cif.	1517269.cif
121037	2014-08-01	cif/ Adding structures of 1517269 via cif-deposit CGI script.	1517269.cif