Crystallography Open Database

Information card for entry 7115823

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Coordinates	7115823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 Cl3 N2 P Rh
Calculated formula	C27 H27 Cl3 N2 P Rh
Title of publication	Metal ion promoted tautomerization and C-N bond cleavage: conversion of catechol to a p-benzoquinone derivative
Authors of publication	Pinaki Saha; Amit Saha Roy; Thomas Weyhermuller; Prasanta Ghosh
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13073
a	15.9397 ± 0.0005 Å
b	9.5342 ± 0.0003 Å
c	19.3761 ± 0.0006 Å
α	90°
β	113.72 ± 0.001°
γ	90°
Cell volume	2695.87 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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