Crystallography Open Database

Information card for entry 1505852

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Structure parameters

Formula	C19 H20 O4
Calculated formula	C19 H20 O4
SMILES	O1[C@@H]2Oc3c(CC2=C[C@@H]([C@H]1COC)OC)c1c(cc3)cccc1
Title of publication	Crystal or low molecular mass organogel based on sugar-derived chiral pyrano[2,3-b]naphtho[1,2-e]pyrans.
Authors of publication	Ghosh, Rina; Chakraborty, Arijit; Maiti, Dilip K.; Puranik, Vedavati G.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	6
Pages of publication	1061 - 1064
a	4.5846 ± 0.0005 Å
b	11.1492 ± 0.0013 Å
c	30.445 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1556.2 ± 0.3 Å³
Cell temperature	568 ± 2 K
Ambient diffraction temperature	568 ± 2 K
Number of distinct elements	3
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	0.0891
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1505852.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.	1505852.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505852.cif
47791	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505852 via cif-deposit CGI script.	1505852.cif