Crystallography Open Database

Information card for entry 1572781

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Coordinates	1572781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H45 O7 P
Calculated formula	C45 H45 O7 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	6.8013 ± 0.0013 Å
b	13.832 ± 0.003 Å
c	20.961 ± 0.004 Å
α	102.003 ± 0.005°
β	99.318 ± 0.006°
γ	98.164 ± 0.007°
Cell volume	1871.6 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.19
Residual factor for significantly intense reflections	0.097
Weighted residual factors for significantly intense reflections	0.2388
Weighted residual factors for all reflections included in the refinement	0.3356
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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