Crystallography Open Database

Information card for entry 7110760

Preview

Coordinates	7110760.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 6
Formula	C63 H52 Cl2 N4 O4
Calculated formula	C63 H48 Cl2 N4 O4
Title of publication	A convenient synthesis of porphodimethenes and their conversion to trans-porphyrins with two functionalized meso-naphthyl substituents
Authors of publication	Harmjanz, Michael; Scott, Michael J.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	5
Pages of publication	397
a	25.7995 ± 0.0013 Å
b	12.7094 ± 0.0007 Å
c	17.6758 ± 0.0009 Å
α	90°
β	115.168 ± 0.001°
γ	90°
Cell volume	5245.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0683
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1766
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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