Crystallography Open Database

Information card for entry 7040670

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Coordinates	7040670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H187.42 N36 O63.71 Pd3
Calculated formula	C111 H187.416 N36 O63.708 Pd3
Title of publication	Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process.
Authors of publication	Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	46
Pages of publication	18476 - 18483
a	16.3485 ± 0.0002 Å
b	27.8059 ± 0.0003 Å
c	33.4695 ± 0.0004 Å
α	90°
β	96.134 ± 0.001°
γ	90°
Cell volume	15127.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1147
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.2209
Weighted residual factors for all reflections included in the refinement	0.2596
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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