Crystallography Open Database

Information card for entry 1519302

1519301 << 1519302 >> 1519303

Preview

Coordinates	1519302.cif

Structure parameters

Formula	C27 H36 N2 O6 Si
Calculated formula	C27 H36 N2 O6 Si
SMILES	C12(C(O[C@H](C1)c1ccc(cc1)N(=O)=O)O[C@H](C2)c1ccc(cc1)N(=O)=O)[Si](C(C)C)(C(C)C)C(C)C.C12(C(O[C@@H](C1)c1ccc(cc1)N(=O)=O)O[C@@H](C2)c1ccc(cc1)N(=O)=O)[Si](C(C)C)(C(C)C)C(C)C
Title of publication	((2R,5R)-2,5-bis(4-Nitrophenyl)perhydrofuro(2,3-b)furan-3-yl)triisopropylsilane
Authors of publication	Hursthouse, Michael B.; Coles, Simon J.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	108
a	7.9703 ± 0.0016 Å
b	12.128 ± 0.002 Å
c	14.121 ± 0.003 Å
α	79.14 ± 0.03°
β	83.06 ± 0.03°
γ	77.29 ± 0.03°
Cell volume	1303.2 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	1519302.cif
135652	2015-05-06	cif/ Adding structures of 1519302 via cif-deposit CGI script.	1519302.cif