Crystallography Open Database

Information card for entry 2204762

2204761 << 2204762 >> 2204763

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Coordinates	2204762.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H19 O P
Calculated formula	C18 H19 O P
SMILES	C(#CP(=O)(c1ccccc1)c1ccccc1)C(C)(C)C
Title of publication	1-(Diphenylphosphinoyl)-3,3-dimethylbut-1-yne
Authors of publication	Jian-Ming Gu; Mao-Sheng Xu; Xiu-Rong Hu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	12
Pages of publication	o2177 - o2178
a	14.4742 ± 0.0007 Å
b	9.5767 ± 0.0007 Å
c	11.2075 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1553.53 ± 0.16 Å³
Cell temperature	296 ± 1 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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