Crystallography Open Database

Information card for entry 4026019

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Coordinates	4026019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H125 Cl3 O48 P4
Calculated formula	C109 H125 Cl3 O48 P4
Title of publication	Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene
Authors of publication	K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	920 - 938
a	17.863 ± 0.003 Å
b	24.4265 ± 0.0019 Å
c	16.784 ± 0.002 Å
α	90°
β	118.377 ± 0.018°
γ	90°
Cell volume	6443.4 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1626
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2176
Weighted residual factors for all reflections included in the refinement	0.2903
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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