Crystallography Open Database

Information card for entry 1506120

Preview

Structure parameters

Formula	C35 H22
Calculated formula	C35 H22
SMILES	C1(c2ccccc2)(c2ccccc2c2ccccc12)c1ccc2ccc3c4c2c1ccc4ccc3
Title of publication	Facile synthesis of complicated 9,9-diarylfluorenes based on BF3.Et2O-mediated Friedel-Crafts reaction.
Authors of publication	Xie, Ling-Hai; Hou, Xiao-Ya; Hua, Yu-Ran; Tang, Chao; Liu, Feng; Fan, Qu-Li; Huang, Wei
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	17
Pages of publication	3701 - 3704
a	14.922 ± 0.004 Å
b	8.735 ± 0.002 Å
c	17.45 ± 0.005 Å
α	90°
β	94.143 ± 0.004°
γ	90°
Cell volume	2268.6 ± 1 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	2
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	0.0594
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	1506120.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.	1506120.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506120.cif
48011	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506120 via cif-deposit CGI script.	1506120.cif