Crystallography Open Database

Information card for entry 1507459

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Coordinates	1507459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H31 Co O0.5
Calculated formula	C36 H31 Co O0.5
Title of publication	Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion
Authors of publication	Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J.
Journal of publication	Organic Letters
Year of publication	2002
Journal volume	4
Journal issue	12
Pages of publication	2075
a	14.4895 ± 0.0008 Å
b	9.0045 ± 0.0005 Å
c	40.411 ± 0.002 Å
α	90°
β	96.501 ± 0.001°
γ	90°
Cell volume	5238.5 ± 0.5 Å³
Cell temperature	138.2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for all reflections included in the refinement	0.0396
Goodness-of-fit parameter for all reflections included in the refinement	1.316
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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