Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C64H20F28N8.Zn/c65-41-17-37-38(18-42(41)66)51-93-49(37)95-53-45-33(21-5-25(57(69,70)71)13-26(6-21)58(72,73)74)1-2-34(22-7-27(59(75,76)77)14-28(8-22)60(78,79)80)46(45)54(99-53)96-50-39-19-43(67)44(68)20-40(39)52(94-50)98-56-48-36(24-11-31(63(87,88)89)16-32(12-24)64(90,91)92)4-3-35(47(48)55(97-51)100-56)23-9-29(61(81,82)83)15-30(10-23)62(84,85)86;/h1-20H;/q-2;+2
SMILES Fc1cc2/C/3=N/c4c5c(ccc(c5c5n4[Zn]n4/c(=N\C(=N3)c2cc1F)/c1c(ccc(c1/c/4=N/C1=N/C(=N\5)/c2cc(F)c(cc12)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key LWKAZZLXGDNWMV-UHFFFAOYSA-N
Molecular Formula C64H20F28N8Zn
Exact Mass 1498.232 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LWKAZZLXGDNWMV-UHFFFAOYSA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/LWKAZZLXGDNWMV-UHFFFAOYSA-N/CHMO0000156
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • zinc;5,8,23,26-tetrakis[3,5-bis(trifluoromethyl)phenyl]-15,16,33,34-tetrafluoro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.