Crystallography Open Database

Information card for entry 4501769

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Structure parameters

Formula	C20 H14 O2
Calculated formula	C20 H14 O2
SMILES	c1(ccc2ccccc2c1c1c(ccc2ccccc12)O)O
Title of publication	Photoluminescence and Crystal Structures of Chiro-Optical 1,1′-Bi-2-naphthol Crystals and Their Inclusion Compounds with Dimethyl Sulfoxide
Authors of publication	Lee, Tu; Peng, Jen Fan
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	8
Pages of publication	3547
a	10.8108 ± 0.0004 Å
b	10.8108 ± 0.0004 Å
c	10.8845 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	1101.68 ± 0.07 Å³
Number of distinct elements	3
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.046
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301842 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure.	4501769.cif
201982	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4501769.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4501769.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501769.cif
36099	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501769 via cif-deposit CGI script.	4501769.cif