Crystallography Open Database

Information card for entry 4025502

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Coordinates	4025502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H28 N O3 P
Calculated formula	C33 H28 N O3 P
Title of publication	Phospha-Münchnones: Electronic Structures and 1,3-Dipolar Cycloadditions
Authors of publication	Daniel J. St-Cyr; Marie S. T. Morin; Francine Bélanger-Gariépy; Bruce A. Arndtsen; Elizabeth H. Krenske; K. N. Houk
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	4261 - 4273
a	30.216 ± 0.005 Å
b	10.1336 ± 0.0014 Å
c	20.831 ± 0.003 Å
α	90°
β	123.41 ± 0.006°
γ	90°
Cell volume	5324.4 ± 1.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.13
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1692
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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