Crystallography Open Database

Information card for entry 1504202

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Structure parameters

Formula	C30 H34
Calculated formula	C30 H34
SMILES	c12c(cc3c(c1)CCC(C)(C)c1c3cc(cc1)C)CCC(C)(C)c1c2cc(cc1)C
Title of publication	A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.
Authors of publication	Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	20
Pages of publication	4656 - 4659
a	11.075 ± 0.003 Å
b	14.841 ± 0.003 Å
c	15.693 ± 0.004 Å
α	118.089 ± 0.011°
β	91.405 ± 0.014°
γ	92.655 ± 0.012°
Cell volume	2270 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.127
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for significantly intense reflections	0.2565
Weighted residual factors for all reflections included in the refinement	0.2693
Goodness-of-fit parameter for all reflections included in the refinement	1.846
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1504202.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.	1504202.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504202.cif
39493	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504202 via cif-deposit CGI script.	1504202.cif