Crystallography Open Database

Information card for entry 1519305

1519304 << 1519305 >> 1519306

Preview

Coordinates	1519305.cif
External links	PubChem

Structure parameters

Formula	C27 H36 N2 O6 Si
Calculated formula	C27 H36 N2 O6 Si
SMILES	c1(ccc(cc1)[C@H]1CC2(C[C@@H](c3ccc(cc3)N(=O)=O)OC2O1)[Si](C(C)C)(C(C)C)C(C)C)N(=O)=O
Title of publication	((2R,5S)-2,5-bis(4-Nitrophenyl)perhydrofuro(2,3-b)furan-3-yl)triisopropylsilane
Authors of publication	Hursthouse, Michael B.; Light, Mark E.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	124
a	11.4829 ± 0.0003 Å
b	14.5419 ± 0.0003 Å
c	15.7595 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2631.57 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519305.cif
176729	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.	1519305.cif
135655	2015-05-06	cif/ Adding structures of 1519305 via cif-deposit CGI script.	1519305.cif