Crystallography Open Database

Information card for entry 4109627

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Structure parameters

Formula	C36 H30
Calculated formula	C36 H30
SMILES	c12ccccc1c1ccccc1C2(C)Cc1ccc(CC2(c3ccccc3c3ccccc23)C)cc1
Title of publication	Convergent Synthesis of Alternating Fluorene-p-xylene Oligomers and Delineation of the (Silver) Cation-Induced Folding
Authors of publication	Vincent J. Chebny; Rajendra Rathore
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8458 - 8465
a	8.77 ± 0.0006 Å
b	20.3186 ± 0.0013 Å
c	7.8056 ± 0.0005 Å
α	90°
β	110.552 ± 0.001°
γ	90°
Cell volume	1302.39 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0454
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4109627.cif
178842	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/96.	4109627.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109627.cif
58404	2012-05-28	cif/ Adding structures of 4109627 via cif-deposit CGI script.	4109627.cif