Crystallography Open Database

Information card for entry 7131533

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Coordinates	7131533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Br4 I4 N4 O16
Calculated formula	C72 H60 Br4 I4 N4 O16
Title of publication	N-Heterocyclic carbene catalyzed desymmetrization of diols: access to enantioenriched oxindoles having a C3-quaternary stereocenter.
Authors of publication	Dutta, Sourav; Porey, Arka; Guin, Joyram
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	38
Pages of publication	5771 - 5774
a	9.8468 ± 0.0004 Å
b	10.3709 ± 0.0004 Å
c	17.4196 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1778.89 ± 0.13 Å³
Cell temperature	134.31 K
Ambient diffraction temperature	134.31 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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