Crystallography Open Database

Information card for entry 1506652

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Structure parameters

Formula	C25 H14 Br2
Calculated formula	C25 H14 Br2
SMILES	Brc1ccc2c(C3(c4c(ccc(Br)c4)c4c3cccc4)c3c2cccc3)c1
Title of publication	Improved synthesis of 2,2'-dibromo-9,9'-spirobifluorene and its 2,2'-bisdonor-7,7'-bisacceptor-substituted fluorescent derivatives.
Authors of publication	Chiang, Chih-Long; Shu, Ching-Fong; Chen, Chin-Ti
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	17
Pages of publication	3717 - 3720
a	14.5655 ± 0.0005 Å
b	16.5819 ± 0.0005 Å
c	7.9981 ± 0.0002 Å
α	90°
β	93.485 ± 0.001°
γ	90°
Cell volume	1928.16 ± 0.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	1506652.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.	1506652.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506652.cif
50476	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506652 via cif-deposit CGI script.	1506652.cif