Crystallography Open Database

Information card for entry 4313601

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Coordinates	4313601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H57 N O6.5 P
Calculated formula	C52 H48 N O5 P
Title of publication	Influence of Hydrogen Bonding in Competition with Lattice Interactions on Carbonyl Coordination at Phosphorus. Implications for Phosphoryl Transfer Activated States1
Authors of publication	A. Chandrasekaran; Natalya V. Timosheva; Roberta O. Day; Robert R. Holmes
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3285 - 3292
a	24.2705 ± 0.0002 Å
b	13.2047 ± 0.0004 Å
c	30.1932 ± 0.0004 Å
α	90°
β	107.691 ± 0.0005°
γ	90°
Cell volume	9218.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1277
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2
Weighted residual factors for all reflections included in the refinement	0.232
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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