Crystallography Open Database

Information card for entry 4516283

Preview

Coordinates	4516283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H172 O26 Sn4
Calculated formula	C122 H172 O26 Sn4
SMILES	Cc1c2c3cc4c1OCOc1c([C@H]4C)cc4c(OCOc5c([C@@H]4C)cc4c(OCOc6c([C@H]4C)cc(c(OC(C(=O)O[Sn]4(CCCC)(CCCC)[O]([Sn]7(CCCC)(CCCC)[O]4[Sn]4(CCCC)(CCCC)[O](CC)[Sn](OC(=O)C8Oc9c(c%10OCOc%11c(c%12OCOc%13c(c%14OCOc%15c%16cc(c(c%15C)O8)[C@@H](c9cc%10[C@@H](c%11cc%12[C@H](c%13cc%14[C@@H]%16C)C)C)C)C)C)C)(CCCC)(CCCC)[O]74)CC)O2)c6C)[C@@H]3C)c5C)c1C.C(C)O.C(C)O
Title of publication	Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters
Authors of publication	Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	3
Pages of publication	1546
a	12.041 ± 0.0005 Å
b	17.927 ± 0.0008 Å
c	18.197 ± 0.0008 Å
α	106.174 ± 0.004°
β	92.003 ± 0.004°
γ	93.137 ± 0.004°
Cell volume	3761.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1935
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.244
Weighted residual factors for all reflections included in the refinement	0.3069
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231222 (current)	2019-11-22	cif/ Adding structures of 4516282, 4516283, 4516284, 4516285 via cif-deposit CGI script.	4516283.cif