Crystallography Open Database

Information card for entry 4025278

Preview

Coordinates	4025278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32.9754 N5 O2 Pd0.0123
Calculated formula	C39 H32.9754 N5 O2 Pd0.0123
Title of publication	De Novo Synthesis of Long-Wavelength Absorbing Chlorin-13,15-dicarboximides
Authors of publication	Marcin Ptaszek; Dorothée Lahaye; Michael Krayer; Chinnasamy Muthiah; Jonathan S. Lindsey
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	1659 - 1673
a	7.8909 ± 0.0002 Å
b	13.6655 ± 0.0004 Å
c	14.8001 ± 0.0004 Å
α	110.83 ± 0.0013°
β	98.1694 ± 0.0013°
γ	94.436 ± 0.0013°
Cell volume	1462.32 ± 0.07 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1863
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	Yes
Has F_obs	No

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