Crystallography Open Database

Information card for entry 7102980

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Structure parameters

Formula	C33 H42 Cl2 N4 O2
Calculated formula	C33 H42 Cl2 N4 O2
SMILES	ClCCl.O(CC1(c2[nH]c(cc2)C(c2[nH]c(C(c3[nH]c(C(c4[nH]c1cc4)(C)C)cc3)(C)C)cc2)(C)C)C)C(=O)C(=C)C
Title of publication	Poly(methyl methacrylate)s with pendant calixpyrroles: polymeric extractants for halide anion salts.
Authors of publication	Aydogan, Abdullah; Coady, Daniel J; Lynch, Vincent M; Akar, Ahmet; Marquez, Manuel; Bielawski, Christopher W; Sessler, Jonathan L
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal issue	12
Pages of publication	1455 - 1457
a	10.3136 ± 0.0004 Å
b	12.6502 ± 0.0006 Å
c	13.1335 ± 0.0006 Å
α	98.569 ± 0.001°
β	105.772 ± 0.001°
γ	102.182 ± 0.001°
Cell volume	1572.61 ± 0.12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0897
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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