Crystallography Open Database

Information card for entry 4021924

4021923 << 4021924 >> 4021925

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Coordinates	4021924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Cu N4 O
Calculated formula	C40 H36 Cu N4 O
Title of publication	A New Route for Installing the Isocyclic Ring on Chlorins Yielding 13^1^-Oxophorbines
Authors of publication	Joydev K. Laha; Chinnasamy Muthiah; Masahiko Taniguchi; Jonathan S. Lindsey
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	7049 - 7052
a	36.6969 ± 0.0005 Å
b	11.5239 ± 0.0002 Å
c	15.7065 ± 0.0002 Å
α	90°
β	102.023 ± 0.0007°
γ	90°
Cell volume	6496.45 ± 0.17 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.07
Residual factor for significantly intense reflections	0.054
Weighted residual factors for all reflections	0.147
Weighted residual factors for significantly intense reflections	0.055
Goodness-of-fit parameter for significantly intense reflections	2.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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