Information card for entry 8101402

Structure parameters

• Formula: C36 H36 O5
• Calculated formula: C36 H36 O5
• SMILES: O=c1c2cc(c3OC(Oc3c2c2c(cc(c(OC)c2o1)C(C)(C)C)C)(c1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: Crystal structure of 3,8-di-tert-butyl-4-methoxy-1-methyl-9,10- diphenylmethylidenedioxy)dibenzo[b,d]pyran-6-one, C~6~H[O~2~C(C~6~H~5~)~2~] (C~4~H~9~)COO(C~6~H)(CH~3~)(OCH~3~)(C~4~H~9~)
• Authors of publication: Peters, Karl; Peters, Eva-Maria; Pabst, Thomas; Bringmann, Gerhard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 603 - 604
• a: 10.7518 ± 0.0009 Å
• b: 10.9501 ± 0.0009 Å
• c: 14.372 ± 0.001 Å
• α: 72.022 ± 0.006°
• β: 73.19 ± 0.006°
• γ: 73.099 ± 0.007°
• Cell volume: 1502.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No