Crystallography Open Database

Information card for entry 1504537

Preview

Coordinates	1504537.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Se-Calix[5]phyrin
Formula	C67 H49 F15 N4 Se
Calculated formula	C67 H48.2 F15 N4 Se
SMILES	[se]1c2ccc1=C(c1[nH]c(cc1)C(=c1nc(cc1)C(c1nc(cc1)=C(c1[nH]c(cc1)C=2c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(cc(cc1C)C)C.CCCCCC
Title of publication	One-pot synthesis of core-modified meso-aryl calix[5]phyrin and N-fused [24]pentaphyrin.
Authors of publication	Gokulnath, Sabapathi; Chandrashekar, Tavarekere K.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	4
Pages of publication	637 - 640
a	14.317 Å
b	14.494 Å
c	15.344 Å
α	87.74°
β	69.23°
γ	74.18°
Cell volume	2858.55 Å³
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	0.128
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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