Crystallography Open Database

Information card for entry 7035061

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Structure parameters

Formula	C19 H16 O2 P
Calculated formula	C19 H16 O2 P
Title of publication	Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.
Authors of publication	Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	21
Pages of publication	9943 - 9954
a	14.5181 ± 0.0006 Å
b	9.0445 ± 0.0004 Å
c	22.913 ± 0.0009 Å
α	90°
β	105.54 ± 0.001°
γ	90°
Cell volume	2898.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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 all reflections	0.0397
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7035061.cif
138694	2015-06-07	cif/ Updating files of 7035053, 7035054, 7035055, 7035056, 7035057, 7035058, 7035059, 7035060, 7035061, 7035062 Original log message: Adding full bibliography for 7035053--7035062.cif.	7035061.cif
135928	2015-05-09	cif/ Adding structures of 7035053, 7035054, 7035055, 7035056, 7035057, 7035058, 7035059, 7035060, 7035061, 7035062 via cif-deposit CGI script.	7035061.cif