Crystallography Open Database

Information card for entry 4514185

Preview

Coordinates	4514185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 O P
Calculated formula	C25 H21 O P
SMILES	[P+](c1c([O-])ccc(c1)C)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	A Phosphonium Ylide as an Ionic Nucleophilic Catalyst for Primary Hydroxyl Group Selective Acylation of Diols
Authors of publication	Toda, Yasunori; Sakamoto, Tomoyuki; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	7
Journal issue	9
Pages of publication	6150
a	9.8901 ± 0.0018 Å
b	10.4204 ± 0.0019 Å
c	12.056 ± 0.002 Å
α	68.572 ± 0.002°
β	85.149 ± 0.002°
γ	69.897 ± 0.002°
Cell volume	1084.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0454
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.369
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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