Crystallography Open Database

Information card for entry 4024682

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Coordinates	4024682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 N4 O Zn
Calculated formula	C40 H36 N4 O Zn
Title of publication	Synthesis and Photochemical Properties of 12-Substituted versus 13-Substituted Chlorins
Authors of publication	Olga Mass; Marcin Ptaszek; Masahiko Taniguchi; James R. Diers; Hooi Ling Kee; David F. Bocian; Dewey Holten; Jonathan S. Lindsey
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	5276 - 5289
a	13.0276 ± 0.0004 Å
b	29.0931 ± 0.0008 Å
c	12.4038 ± 0.0004 Å
α	90°
β	100.201 ± 0.001°
γ	90°
Cell volume	4626.9 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
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	0.075
Residual factor for significantly intense reflections	0.054
Weighted residual factors for all reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.76
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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