Crystallography Open Database

Information card for entry 1572780

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Coordinates	1572780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 O P
Calculated formula	C14 H15 O P
Title of publication	Reactivity of the phosphaethynolate anion with stabilized carbocations: mechanistic studies and synthetic applications.
Authors of publication	Nguyen, Thi Hong Van; Chelli, Saloua; Mallet-Ladeira, Sonia; Breugst, Martin; Lakhdar, Sami
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	35
Pages of publication	14406 - 14414
a	18.3122 ± 0.0008 Å
b	5.9341 ± 0.0002 Å
c	22.4465 ± 0.0011 Å
α	90°
β	97.4662 ± 0.0018°
γ	90°
Cell volume	2418.5 ± 0.18 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
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	0.0463
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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