Crystallography Open Database

Information card for entry 1520338

1520337 << 1520338 >> 1520339

Preview

Coordinates	1520338.cif
External links	PubChem

Structure parameters

Formula	C28 H36 O5 Si
Calculated formula	C28 H36 O5 Si
SMILES	C1(=O)[C@@H]2C[C@@H]3[C@H](C[C@@H]2[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)OC(C)(C)O3
Title of publication	(3aR,4aR,7S, 7aS, 8aS)-7-(tert-Butyl-diphenyl-silanyloxymethyl)-2,2-dimethyl- hexahydro-furo[3',4':4,5]benzo[1,2-d][1,3]dioxol-5-one
Authors of publication	Tizzard, Graham J.; Collins, Ian; Welford, Amanda; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	870
a	10.5375 ± 0.0007 Å
b	15.9336 ± 0.0012 Å
c	31.372 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5267.4 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0948
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.1543
Goodness-of-fit parameter for all reflections included in the refinement	1.195
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
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520338.cif
138333	2015-06-05	cif/ Adding structures of 1520338 via cif-deposit CGI script.	1520338.cif