Crystallography Open Database

Information card for entry 4340471

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Coordinates	4340471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Br4 N2 O4
Calculated formula	C36 H34 Br4 N2 O4
Title of publication	Pitfalls in Bromination Reactions of Zinc Porphyrins: Two-Sided Ring Opening of the Porphyrin Macrocycle.
Authors of publication	Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	15
Pages of publication	7894
a	26.8013 ± 0.0011 Å
b	26.8013 ± 0.0011 Å
c	9.6943 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6963.5 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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