Crystallography Open Database

Information card for entry 4026742

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Structure parameters

Formula	C26 H18 O2
Calculated formula	C26 H18 O2
SMILES	O=C(Oc1c2cc3ccccc3cc2c2ccccc2c1c1ccccc1)C
Title of publication	Manganese(III) Acetate-Mediated Cyclization of Diarylmethylenecyclopropa[b]naphthalenes: A Method for the Synthesis of 1,2-Benzanthracene Derivatives
Authors of publication	Jian Cao; Maozhong Miao; Wanli Chen; Luling Wu; Xian Huang
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	9329 - 9337
a	31.808 ± 0.002 Å
b	5.6746 ± 0.0003 Å
c	20.9233 ± 0.0012 Å
α	90°
β	98.1 ± 0.006°
γ	90°
Cell volume	3738.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4026742.cif
178446	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 4/02/67.	4026742.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026742.cif
40817	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4026742 via cif-deposit CGI script.	4026742.cif