Crystallography Open Database

Information card for entry 1503088

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Structure parameters

Formula	C24 H26 O2
Calculated formula	C24 H26 O2
SMILES	O=C([C@@H]1[C@@H]([C@H](C(=C([C@@H]1C)c1ccccc1)c1ccccc1)C(=O)C)C)C.O=C([C@H]1[C@H]([C@@H](C(=C([C@H]1C)c1ccccc1)c1ccccc1)C(=O)C)C)C
Title of publication	Nickel-catalyzed [2 + 2 + 2] cycloaddition of two enones and an alkyne.
Authors of publication	Ogoshi, Sensuke; Nishimura, Akira; Ohashi, Masato
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	15
Pages of publication	3450 - 3452
a	6.08838 ± 0.00012 Å
b	37.5923 ± 0.0007 Å
c	9.11131 ± 0.00017 Å
α	90°
β	114.271 ± 0.0012°
γ	90°
Cell volume	1901.04 ± 0.07 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123 ± 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 significantly intense reflections	0.0416
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54187 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.	1503088.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1503088.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503088.cif
37001	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503086, 1503087, 1503088 via cif-deposit CGI script.	1503088.cif