Crystallography Open Database

Information card for entry 1516500

Preview

Coordinates	1516500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 P2 S2
Calculated formula	C38 H36 P2 S2
Title of publication	Synthesis of π-Extended Dibenzophospholes by Intramolecular Radical Cyclization and Their Properties.
Authors of publication	Furukawa, Shunsuke; Haga, Shunsuke; Kobayashi, Junji; Kawashima, Takayuki
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	12
Pages of publication	3228 - 3231
a	9.151 ± 0.005 Å
b	12.814 ± 0.008 Å
c	15.408 ± 0.009 Å
α	109.378 ± 0.006°
β	91.446 ± 0.005°
γ	107.726 ± 0.006°
Cell volume	1607.4 ± 1.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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