Information card for entry 1572955

Structure parameters

• Common name: <i>meso</i>-5,15-Bis[3-(isopropylidenegalactopyranoxy)phenyl]-\ 10,20-bis(4-methylphenyl)porphyrin
• Chemical name: <i>meso</i>-5,15-Bis{4-[{4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl)methoxy]phenyl}-10,20-bis(4-methylphenyl)porphyrin
• Formula: C70 H70 N4 O12
• Calculated formula: C70 H70 N4 O12
• SMILES: O(c1cc(C2=c3[nH]c(=C(c4nc(=C(c5[nH]c(C(=c6nc2cc6)c2ccc(cc2)C)cc5)c2cc(OC[C@H]5O[C@@H]6OC(O[C@@H]6[C@H]6OC(O[C@@H]56)(C)C)(C)C)ccc2)cc4)c2ccc(cc2)C)cc3)ccc1)C[C@H]1O[C@@H]2OC(O[C@@H]2[C@H]2OC(O[C@@H]12)(C)C)(C)C
• Authors of publication: Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 10
• Pages of publication: x241028
• a: 16.565 ± 0.002 Å
• b: 9.7051 ± 0.0013 Å
• c: 19.708 ± 0.003 Å
• α: 90°
• β: 99.376 ± 0.007°
• γ: 90°
• Cell volume: 3126 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.235
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No