Crystallography Open Database

Information card for entry 4025099

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Structure parameters

Formula	C34 H25 O P
Calculated formula	C34 H25 O P
SMILES	P1(c2ccccc2)(c2ccccc2C(=CC=1C(=O)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Heterocycles from Phosphonium-Iodonium Ylides. Photochemical Synthesis of λ5-Phosphinolines
Authors of publication	Elena D. Matveeva; Tatyana A. Podrugina; Anna S. Pavlova; Andrey V. Mironov; Anatoliy A. Borisenko; Rolf Gleiter; Nikolay S. Zefirov
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	9428 - 9432
a	9.124 ± 0.0017 Å
b	12.179 ± 0.002 Å
c	11.372 ± 0.002 Å
α	90°
β	98.493 ± 0.015°
γ	90°
Cell volume	1249.8 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0429
Weighted residual factors for all reflections included in the refinement	0.0429
Goodness-of-fit parameter for significantly intense reflections	1.15
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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