Crystallography Open Database

Information card for entry 4026592

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Structure parameters

Formula	C24 H22 O
Calculated formula	C24 H22 O
SMILES	O(C)c1ccc(cc1)/C(=C\1c2ccccc2c2c1cccc2)CCC
Title of publication	Palladium-Catalyzed Annulation of 2-(1-Alkynyl)biphenyls with Aryl Iodides to Disubstituted Methylidenefluorenes.
Authors of publication	Chin-Chau Chen; Shyh-Chyun Yang; Ming-Jung Wu
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	7631 - 7631
a	10.0199 ± 0.0004 Å
b	7.6276 ± 0.0003 Å
c	12.0388 ± 0.0005 Å
α	90°
β	102.113 ± 0.002°
γ	90°
Cell volume	899.61 ± 0.06 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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
201982 (current)	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.	4026592.cif
178444	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/65.	4026592.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026592.cif
39694	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4026592 via cif-deposit CGI script.	4026592.cif